4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid

C13H10F2N2O2 — CID 81233035

IUPAC4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2cc(F)ccc2F)c(C(=O)O)cn1
InChIInChI=1S/C13H10F2N2O2/c1-7-4-11(9(6-16-7)13(18)19)17-12-5-8(14)2-3-10(12)15/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyBOTGNMOIHQGNSO-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.11
Rot. Bonds3

About 4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid

4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81233035) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
PubChem CID81233035
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2cc(F)ccc2F)c(C(=O)O)cn1
InChIInChI=1S/C13H10F2N2O2/c1-7-4-11(9(6-16-7)13(18)19)17-12-5-8(14)2-3-10(12)15/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyBOTGNMOIHQGNSO-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-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223
4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid
CID 115148846
4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233334
6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243431
6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 164529757
4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233036
4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid
CID 106760088
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid
CID 107600873
4-(2,5-difluoroanilino)-3-methylbenzoic acid
CID 63212505
4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139
4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid
CID 81230836

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid (CID 81233035) is 4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid is Cc1cc(Nc2cc(F)ccc2F)c(C(=O)O)cn1.
What is the InChIKey of 4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is BOTGNMOIHQGNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-7-4-11(9(6-16-7)13(18)19)17-12-5-8(14)2-3-10(12)15/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid?
4-(2,5-difluoroanilino)-6-methylpyridine-3-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-difluoroanilino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81233035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).