5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid

C15H15ClN2O2 — CID 114919407

IUPAC5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid
SMILESCCCc1ccccc1Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C15H15ClN2O2/c1-2-5-10-6-3-4-7-13(10)18-14-8-11(15(19)20)12(16)9-17-14/h3-4,6-9H,2,5H2,1H3,(H,17,18)(H,19,20)
InChIKeyAZEXRUJBCWGAQB-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.13
Rot. Bonds5

About 5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid

5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid (PubChem CID 114919407) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid
PubChem CID114919407
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid
SMILESCCCc1ccccc1Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C15H15ClN2O2/c1-2-5-10-6-3-4-7-13(10)18-14-8-11(15(19)20)12(16)9-17-14/h3-4,6-9H,2,5H2,1H3,(H,17,18)(H,19,20)
InChIKeyAZEXRUJBCWGAQB-UHFFFAOYSA-N
XLogP4.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-(2-propylanilino)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

5-chloro-2-(2,3-dichloroanilino)pyridine-4-carboxylic acid
CID 114919169
5-chloro-2-(2-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919175
5-chloro-2-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 114919545
5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
CID 114919577
6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-propylanilino)pyridine-3-carboxamide
CID 175501344
2,5-dichloro-N-(2-propylphenyl)pyrimidin-4-amine
CID 79632081
4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide
CID 81226564
3-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 66482935
5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid
CID 114919808
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975
2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid
CID 114919117
2-[(2-propylanilino)methyl]benzoic acid
CID 103246196

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid (CID 114919407) is 5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid is CCCc1ccccc1Nc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid?
The InChIKey is AZEXRUJBCWGAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-5-10-6-3-4-7-13(10)18-14-8-11(15(19)20)12(16)9-17-14/h3-4,6-9H,2,5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid?
5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).