2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid

C14H10ClN3O2 — CID 62268789

IUPAC2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid
SMILESN#Cc1ccc(CNc2cc(C(=O)O)cc(Cl)n2)cc1
InChIInChI=1S/C14H10ClN3O2/c15-12-5-11(14(19)20)6-13(18-12)17-8-10-3-1-9(7-16)2-4-10/h1-6H,8H2,(H,17,18)(H,19,20)
InChIKeyKILDQDNBJXMBIC-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.92
Rot. Bonds4

About 2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid

2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 62268789) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid
PubChem CID62268789
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid
SMILESN#Cc1ccc(CNc2cc(C(=O)O)cc(Cl)n2)cc1
InChIInChI=1S/C14H10ClN3O2/c15-12-5-11(14(19)20)6-13(18-12)17-8-10-3-1-9(7-16)2-4-10/h1-6H,8H2,(H,17,18)(H,19,20)
InChIKeyKILDQDNBJXMBIC-UHFFFAOYSA-N
XLogP2.92
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid
CID 43343670
4-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 62481548
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80935909
6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid
CID 62268952
methyl 2-(benzylamino)-6-chloropyridine-4-carboxylate
CID 87562356
4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789
4-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 18388121
2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 43343491
6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 109370132
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid (CID 62268789) is 2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid is N#Cc1ccc(CNc2cc(C(=O)O)cc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is KILDQDNBJXMBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-12-5-11(14(19)20)6-13(18-12)17-8-10-3-1-9(7-16)2-4-10/h1-6H,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid?
2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 287.71 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 62268789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).