4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid

C13H10ClFN2O2 — CID 81233334

IUPAC4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2ccc(Cl)c(F)c2)c(C(=O)O)cn1
InChIInChI=1S/C13H10ClFN2O2/c1-7-4-12(9(6-16-7)13(18)19)17-8-2-3-10(14)11(15)5-8/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyIFKVARTXKCALMR-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.62
Rot. Bonds3

About 4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid

4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81233334) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid
PubChem CID81233334
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2ccc(Cl)c(F)c2)c(C(=O)O)cn1
InChIInChI=1S/C13H10ClFN2O2/c1-7-4-12(9(6-16-7)13(18)19)17-8-2-3-10(14)11(15)5-8/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyIFKVARTXKCALMR-UHFFFAOYSA-N
XLogP3.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81244235
4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233036
4-chloro-N-(4-chloro-3-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81226487
4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223
4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233035
6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid
CID 81244627
4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid
CID 107600873
4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 104724456
5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919129
4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81227803
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243431

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid (CID 81233334) is 4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid is Cc1cc(Nc2ccc(Cl)c(F)c2)c(C(=O)O)cn1.
What is the InChIKey of 4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is IFKVARTXKCALMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-7-4-12(9(6-16-7)13(18)19)17-8-2-3-10(14)11(15)5-8/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid?
4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 280.69 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81233334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).