2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H11F3N2O3 — CID 79258133

IUPAC2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cccc(C(=O)N(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O3/c1-7-3-2-4-8(15-7)10(19)16(5-9(17)18)6-11(12,13)14/h2-4H,5-6H2,1H3,(H,17,18)
InChIKeyPKYSZHRTAANSLO-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.48
Rot. Bonds4

About 2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258133) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258133
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cccc(C(=O)N(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O3/c1-7-3-2-4-8(15-7)10(19)16(5-9(17)18)6-11(12,13)14/h2-4H,5-6H2,1H3,(H,17,18)
InChIKeyPKYSZHRTAANSLO-UHFFFAOYSA-N
XLogP1.48
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]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-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81481850
6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 103889772
2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990578
6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 78848576
N-(2-hydroxy-2-methylpropyl)-N,6-dimethylpyridine-2-carboxamide
CID 79290588
2-[(1,5-dimethylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78925294
2-[(2,5-dimethylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990159
N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235473
2-[[2-(4-methylphenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257969
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990361
2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid
CID 60826054
2-[(3-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261549

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258133) is 2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1cccc(C(=O)N(CC(=O)O)CC(F)(F)F)n1.
What is the InChIKey of 2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is PKYSZHRTAANSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-7-3-2-4-8(15-7)10(19)16(5-9(17)18)6-11(12,13)14/h2-4H,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 276.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).