4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid

C13H11ClN2O2 — CID 62533427

IUPAC4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NCc2cccc(Cl)c2)ccn1
InChIInChI=1S/C13H11ClN2O2/c14-10-3-1-2-9(6-10)8-16-11-4-5-15-12(7-11)13(17)18/h1-7H,8H2,(H,15,16)(H,17,18)
InChIKeyPQCSVYITQWJHGH-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.05
Rot. Bonds4

About 4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid

4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 62533427) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid
PubChem CID62533427
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NCc2cccc(Cl)c2)ccn1
InChIInChI=1S/C13H11ClN2O2/c14-10-3-1-2-9(6-10)8-16-11-4-5-15-12(7-11)13(17)18/h1-7H,8H2,(H,15,16)(H,17,18)
InChIKeyPQCSVYITQWJHGH-UHFFFAOYSA-N
XLogP3.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944792
6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid
CID 174952504
4-[(3-chlorophenyl)methylamino]phthalic acid
CID 67019673
3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid
CID 60893530
N-(3-chlorophenyl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211561
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid
CID 12640232
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109212459
4-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109218509
N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210329

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid (CID 62533427) is 4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid is O=C(O)c1cc(NCc2cccc(Cl)c2)ccn1.
What is the InChIKey of 4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is PQCSVYITQWJHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-10-3-1-2-9(6-10)8-16-11-4-5-15-12(7-11)13(17)18/h1-7H,8H2,(H,15,16)(H,17,18).
What are the key properties of 4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid?
4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 262.70 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 62533427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).