6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid

C15H13F2NO2 — CID 116533091

IUPAC6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid
SMILESCCc1nc(-c2cc(F)c(C)cc2F)ccc1C(=O)O
InChIInChI=1S/C15H13F2NO2/c1-3-13-9(15(19)20)4-5-14(18-13)10-7-11(16)8(2)6-12(10)17/h4-7H,3H2,1-2H3,(H,19,20)
InChIKeyLXDALINWGANTPF-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.60
Rot. Bonds3

About 6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid

6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid (PubChem CID 116533091) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid
PubChem CID116533091
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid
SMILESCCc1nc(-c2cc(F)c(C)cc2F)ccc1C(=O)O
InChIInChI=1S/C15H13F2NO2/c1-3-13-9(15(19)20)4-5-14(18-13)10-7-11(16)8(2)6-12(10)17/h4-7H,3H2,1-2H3,(H,19,20)
InChIKeyLXDALINWGANTPF-UHFFFAOYSA-N
XLogP3.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid
CID 116533195
2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
3-(2,5-difluoro-4-methylphenyl)-2-fluorobenzoic acid
CID 107957745
2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
CID 116532989
2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid
CID 116532972
2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
CID 172914103
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid
CID 116532959
ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate
CID 116532924
2-ethyl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylic acid
CID 116533031
2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid
CID 116532988
5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid
CID 172914042

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid?
The IUPAC name of 6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid (CID 116533091) is 6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid is CCc1nc(-c2cc(F)c(C)cc2F)ccc1C(=O)O.
What is the InChIKey of 6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid?
The InChIKey is LXDALINWGANTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-3-13-9(15(19)20)4-5-14(18-13)10-7-11(16)8(2)6-12(10)17/h4-7H,3H2,1-2H3,(H,19,20).
What are the key properties of 6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid?
6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid has a molecular weight of 277.27 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid is sourced from PubChem (CID 116533091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).