2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid

C14H13FN2O2 — CID 60678644

IUPAC2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Nc2cccc(F)c2)n1
InChIInChI=1S/C14H13FN2O2/c1-8-6-9(2)16-13(12(8)14(18)19)17-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyXUXSHADUGBNIOE-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.28
Rot. Bonds3

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

2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 60678644) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID60678644
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Nc2cccc(F)c2)n1
InChIInChI=1S/C14H13FN2O2/c1-8-6-9(2)16-13(12(8)14(18)19)17-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyXUXSHADUGBNIOE-UHFFFAOYSA-N
XLogP3.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61003029
2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 61003365
2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107528823
2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63537312
2-(3-fluoroanilino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 44612425
5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401895
2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61003027
4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193335
2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 82860701
N-(3-fluorophenyl)-6-methylpyridin-2-amine
CID 119089651
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid (CID 60678644) is 2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(Nc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is XUXSHADUGBNIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-6-9(2)16-13(12(8)14(18)19)17-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 60678644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).