4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid

C13H10F2N2O2 — CID 103586357

IUPAC4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid
SMILESCc1cc(F)c(Nc2ccnc(C(=O)O)c2)cc1F
InChIInChI=1S/C13H10F2N2O2/c1-7-4-10(15)11(6-9(7)14)17-8-2-3-16-12(5-8)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyIVEIIIRMZFWAHF-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.11
Rot. Bonds3

About 4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid

4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid (PubChem CID 103586357) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid
PubChem CID103586357
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid
SMILESCc1cc(F)c(Nc2ccnc(C(=O)O)c2)cc1F
InChIInChI=1S/C13H10F2N2O2/c1-7-4-10(15)11(6-9(7)14)17-8-2-3-16-12(5-8)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyIVEIIIRMZFWAHF-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid
CID 43326134
4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43438570
4-(2,6-difluoro-3-methylanilino)pyridine-2-carboxylic acid
CID 82819801
4-(2,4-dimethylanilino)pyridine-2-carboxylic acid
CID 43326120
4-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528832
4-(3-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43326161
4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid
CID 43326079
4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730089
azepan-1-yl-[4-(2,4-difluoroanilino)-2-pyridinyl]methanone
CID 109218613
4-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651767
methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate
CID 159924030
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carbothioamide
CID 107592479

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid (CID 103586357) is 4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid is Cc1cc(F)c(Nc2ccnc(C(=O)O)c2)cc1F.
What is the InChIKey of 4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid?
The InChIKey is IVEIIIRMZFWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-7-4-10(15)11(6-9(7)14)17-8-2-3-16-12(5-8)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid?
4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid has a molecular weight of 264.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 103586357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).