4-Chloro-N2-methylpyridine-2,5-diamine
PubChem CID
171397343
Structure
Molecular Formula
Synonyms
- G81252
- 4-CHLORO-N2-METHYLPYRIDINE-2,5-DIAMINE
Molecular Weight
157.60 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2024-06-20
- Modify:2024-12-07
Chemical Structure Depiction
4-chloro-2-N-methylpyridine-2,5-diamine
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C6H8ClN3/c1-9-6-2-4(7)5(8)3-10-6/h2-3H,8H2,1H3,(H,9,10)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
GDFIAVKBBDXPQP-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CNC1=NC=C(C(=C1)Cl)N
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C6H8ClN3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
157.60 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
1.1
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
157.0406750 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
157.0406750 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
50.9Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
10
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
109
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Similar Compounds (2D)
Similar Conformers (3D)
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