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

C14H12F2N2O2 — CID 61003029

IUPAC2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H12F2N2O2/c1-7-3-8(2)17-13(12(7)14(19)20)18-11-5-9(15)4-10(16)6-11/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyUOFZFTJZANQEEF-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.42
Rot. Bonds3

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

2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 61003029) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID61003029
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H12F2N2O2/c1-7-3-8(2)17-13(12(7)14(19)20)18-11-5-9(15)4-10(16)6-11/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyUOFZFTJZANQEEF-UHFFFAOYSA-N
XLogP3.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678644
2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63537312
2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107528823
2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 82860701
4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 60678598
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 61003365
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 79249523
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906544
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 114156029
2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61403084
2-(butan-2-ylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678486

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid (CID 61003029) is 2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of 2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is UOFZFTJZANQEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-7-3-8(2)17-13(12(7)14(19)20)18-11-5-9(15)4-10(16)6-11/h3-6H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 61003029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).