6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid

C13H11ClN2O2 — CID 28740301

IUPAC6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H11ClN2O2/c14-11-4-1-9(2-5-11)7-15-12-6-3-10(8-16-12)13(17)18/h1-6,8H,7H2,(H,15,16)(H,17,18)
InChIKeyVRBMOSZDOGWDAO-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.05
Rot. Bonds4

About 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid

6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 28740301) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
PubChem CID28740301
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H11ClN2O2/c14-11-4-1-9(2-5-11)7-15-12-6-3-10(8-16-12)13(17)18/h1-6,8H,7H2,(H,15,16)(H,17,18)
InChIKeyVRBMOSZDOGWDAO-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

6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 112722784
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156184
N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109156918
4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789
N-[(4-chlorophenyl)methyl]-5-fluoropyridin-2-amine
CID 61313125
6-[(4-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109156965
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid (CID 28740301) is 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is VRBMOSZDOGWDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-11-4-1-9(2-5-11)7-15-12-6-3-10(8-16-12)13(17)18/h1-6,8H,7H2,(H,15,16)(H,17,18).
What are the key properties of 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid?
6-[(4-chlorophenyl)methylamino]pyridine-3-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 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 28740301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).