6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid

C14H10ClN3O2 — CID 106904725

IUPAC6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(Cl)cc1NCc1cccc(C(=O)O)n1
InChIInChI=1S/C14H10ClN3O2/c15-10-5-4-9(7-16)13(6-10)17-8-11-2-1-3-12(18-11)14(19)20/h1-6,17H,8H2,(H,19,20)
InChIKeyAYPFTFWRBVEUCC-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.92
Rot. Bonds4

About 6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid

6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904725) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid
PubChem CID106904725
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(Cl)cc1NCc1cccc(C(=O)O)n1
InChIInChI=1S/C14H10ClN3O2/c15-10-5-4-9(7-16)13(6-10)17-8-11-2-1-3-12(18-11)14(19)20/h1-6,17H,8H2,(H,19,20)
InChIKeyAYPFTFWRBVEUCC-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

Analyze 6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-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-[(5-chloro-2-cyanoanilino)methyl]benzoic acid
CID 103252963
2-(5-chloro-2-cyanoanilino)acetic acid
CID 63081728
2-(benzylamino)-4-chlorobenzonitrile
CID 43681577
2-[2-(5-chloro-2-cyanoanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374340
4-chloro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 43681545
4-chloro-2-[(2,3-dihydroxyphenyl)methylamino]benzonitrile
CID 61319496
4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 63081656
6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid
CID 106904956
6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904396
6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904582
4-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzonitrile
CID 63082603
6-[(2,4-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904620

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid (CID 106904725) is 6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid is N#Cc1ccc(Cl)cc1NCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid?
The InChIKey is AYPFTFWRBVEUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-10-5-4-9(7-16)13(6-10)17-8-11-2-1-3-12(18-11)14(19)20/h1-6,17H,8H2,(H,19,20).
What are the key properties of 6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid?
6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-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 6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).