C1=CN=CC(=C1Cl)C(=O)O
CAS: 10177-29-4
Name: 4-chloropyridine-3-carboxylic acid
SMILES: C1=CN=CC(=C1Cl)C(=O)O

Molecular Processing

Molecular formula
C6H4ClNO2
Molecular weight
157.56
Exact mass
156.9931
XLogP
1.43
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
36.21

Supplementary Information

InChIKey: IMRGVWZLCZERSQ-UHFFFAOYSA-N
Synonyme
4-Chloronicotinic acid10177-29-4DTXSID00355921RefChem:292137DTXCID70306980628-434-14-Chloropyridine-3-carboxylic acid3-PYRIDINECARBOXYLIC ACID, 4-CHLORO-4-Chloro-3-pyridinecarboxylic acidMFCD001288604-chloro-nicotinic acid4-ChloronicotinicacidQZ2L8CE8DVSCHEMBL7533AF-399/40245588SCHEMBL15514423SCHEMBL29574646IMRGVWZLCZERSQ-UHFFFAOYSA-NCS-D16854-chloro-pyridine-3-carboxylic acidSBB028475AKOS000320190AB03598AC-6145AS-5394SY0067704-Chloropyridine-3-carboxylic acid, 96%DB-008394ST50824647EN300-78482
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