4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid

C14H13FN2O2 — CID 81233223

IUPAC4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(F)c(Nc2cc(C)ncc2C(=O)O)c1
InChIInChI=1S/C14H13FN2O2/c1-8-3-4-11(15)13(5-8)17-12-6-9(2)16-7-10(12)14(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyKTIMPDAJFZDVLO-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.28
Rot. Bonds3

About 4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid

4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81233223) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
PubChem CID81233223
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(F)c(Nc2cc(C)ncc2C(=O)O)c1
InChIInChI=1S/C14H13FN2O2/c1-8-3-4-11(15)13(5-8)17-12-6-9(2)16-7-10(12)14(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyKTIMPDAJFZDVLO-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

4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233035
4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139
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
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-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid
CID 81230836
4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid
CID 81243842
6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid
CID 81244627
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid (CID 81233223) is 4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid is Cc1ccc(F)c(Nc2cc(C)ncc2C(=O)O)c1.
What is the InChIKey of 4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is KTIMPDAJFZDVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-3-4-11(15)13(5-8)17-12-6-9(2)16-7-10(12)14(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid?
4-(2-fluoro-5-methylanilino)-6-methylpyridine-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 4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81233223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).