6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid

C25H17ClF4N2O4 — CID 174163963

IUPAC6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(-c2cc(=O)c3cc(C(F)(F)F)cc(C(C)Nc4ccc(Cl)nc4C(=O)O)c3o2)cc1F
InChIInChI=1S/C25H17ClF4N2O4/c1-11-3-4-13(7-17(11)27)20-10-19(33)16-9-14(25(28,29)30)8-15(23(16)36-20)12(2)31-18-5-6-21(26)32-22(18)24(34)35/h3-10,12,31H,1-2H3,(H,34,35)
InChIKeyLQGYXOMKYRDZCZ-UHFFFAOYSA-N
MW520.87 g/mol
LogP6.85
Rot. Bonds5

About 6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid

6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid (PubChem CID 174163963) has the molecular formula C25H17ClF4N2O4 and a molecular weight of 520.87 g/mol. Its IUPAC name is 6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid
PubChem CID174163963
Molecular FormulaC25H17ClF4N2O4
Molecular Weight520.87 g/mol
Exact Mass520.08
IUPAC Name6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(-c2cc(=O)c3cc(C(F)(F)F)cc(C(C)Nc4ccc(Cl)nc4C(=O)O)c3o2)cc1F
InChIInChI=1S/C25H17ClF4N2O4/c1-11-3-4-13(7-17(11)27)20-10-19(33)16-9-14(25(28,29)30)8-15(23(16)36-20)12(2)31-18-5-6-21(26)32-22(18)24(34)35/h3-10,12,31H,1-2H3,(H,34,35)
InChIKeyLQGYXOMKYRDZCZ-UHFFFAOYSA-N
XLogP6.85
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.87
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic 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

6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
CID 174163918
6-chloro-3-[1-[2-(2,7-dimethylindazol-5-yl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid
CID 166147123
6-chloro-3-[[(1R)-1-(6-methyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 166111289
6-chloro-3-[[(1R)-1-[3-methyl-4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 166111505
6-chloro-3-[1-[6-methyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
CID 166147261
6-chloro-3-[1-(6-methyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylamino]pyridine-2-carboxylic acid
CID 166111776
3-[1-[2-[(E)-1-amino-3-(4-cyanophenyl)iminoprop-1-en-2-yl]-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]-6-chloropyridine-2-carboxylic acid
CID 166111540
tert-butyl 3-[1-[2-[4-amino-3-(methyliminomethyl)phenyl]-6-methyl-4-oxochromen-8-yl]ethylamino]-6-chloropyridine-2-carboxylate
CID 166147067
2-[1-[4-oxo-2-pyridin-2-yl-6-(trifluoromethyl)chromen-8-yl]ethylamino]benzoic acid
CID 166111742
6-chloro-3-[[(1R)-1-[3-methyl-2-(1-methylpyrazol-4-yl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
CID 169269472
6-chloro-3-[[(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 156876197
6-chloro-3-[1-[6-fluoro-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
CID 156876706

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid (CID 174163963) is 6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid is Cc1ccc(-c2cc(=O)c3cc(C(F)(F)F)cc(C(C)Nc4ccc(Cl)nc4C(=O)O)c3o2)cc1F.
What is the InChIKey of 6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid?
The InChIKey is LQGYXOMKYRDZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF4N2O4/c1-11-3-4-13(7-17(11)27)20-10-19(33)16-9-14(25(28,29)30)8-15(23(16)36-20)12(2)31-18-5-6-21(26)32-22(18)24(34)35/h3-10,12,31H,1-2H3,(H,34,35).
What are the key properties of 6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid?
6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid has a molecular weight of 520.87 g/mol, XLogP of 6.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 174163963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).