2-(3,4-dichloroanilino)pyridine-4-carboxylic acid

C12H8Cl2N2O2 — CID 13082139

IUPAC2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H8Cl2N2O2/c13-9-2-1-8(6-10(9)14)16-11-5-7(12(17)18)3-4-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyYFAIDNAQJROCDS-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.83
Rot. Bonds3

About 2-(3,4-dichloroanilino)pyridine-4-carboxylic acid

2-(3,4-dichloroanilino)pyridine-4-carboxylic acid (PubChem CID 13082139) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
PubChem CID13082139
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H8Cl2N2O2/c13-9-2-1-8(6-10(9)14)16-11-5-7(12(17)18)3-4-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyYFAIDNAQJROCDS-UHFFFAOYSA-N
XLogP3.83
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-2-ylamino)pyridine-4-carboxylic acid
CID 60726061
2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid
CID 81266781
2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid
CID 107528839
2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178053
2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167766
2-[4-bromo-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 64855140
2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 28537506
2-(4-butylanilino)pyridine-4-carboxylic acid
CID 43244051
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246
2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172025
N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109177698
2-(3-chloro-4-methoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176346

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3,4-dichloroanilino)pyridine-4-carboxylic acid (CID 13082139) is 2-(3,4-dichloroanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichloroanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dichloroanilino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichloroanilino)pyridine-4-carboxylic acid?
The InChIKey is YFAIDNAQJROCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-9-2-1-8(6-10(9)14)16-11-5-7(12(17)18)3-4-15-11/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-(3,4-dichloroanilino)pyridine-4-carboxylic acid?
2-(3,4-dichloroanilino)pyridine-4-carboxylic acid has a molecular weight of 283.11 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 13082139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).