2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid

C15H15FN2O2 — CID 104822625

IUPAC2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid
SMILESCc1cc(F)cc(NC(C(=O)O)c2ccc(C)nc2)c1
InChIInChI=1S/C15H15FN2O2/c1-9-5-12(16)7-13(6-9)18-14(15(19)20)11-4-3-10(2)17-8-11/h3-8,14,18H,1-2H3,(H,19,20)
InChIKeyDQBFTJJHVRHTJV-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.08
Rot. Bonds4

About 2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid

2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid (PubChem CID 104822625) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid
PubChem CID104822625
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid
SMILESCc1cc(F)cc(NC(C(=O)O)c2ccc(C)nc2)c1
InChIInChI=1S/C15H15FN2O2/c1-9-5-12(16)7-13(6-9)18-14(15(19)20)11-4-3-10(2)17-8-11/h3-8,14,18H,1-2H3,(H,19,20)
InChIKeyDQBFTJJHVRHTJV-UHFFFAOYSA-N
XLogP3.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79049348
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 79044455
2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044647
2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide
CID 79055306
2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid
CID 104822494
2-(3-fluoro-5-methylanilino)-2-thiophen-2-ylacetic acid
CID 79050291
ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822527
(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044779
methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822541
2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 81431305

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid?
The IUPAC name of 2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid (CID 104822625) is 2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid is Cc1cc(F)cc(NC(C(=O)O)c2ccc(C)nc2)c1.
What is the InChIKey of 2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid?
The InChIKey is DQBFTJJHVRHTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-5-12(16)7-13(6-9)18-14(15(19)20)11-4-3-10(2)17-8-11/h3-8,14,18H,1-2H3,(H,19,20).
What are the key properties of 2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid?
2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid has a molecular weight of 274.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid is sourced from PubChem (CID 104822625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).