6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid

C24H16ClF3N2O4 — CID 166111240

IUPAC6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid
SMILESC[C@@H](Nc1ccc(Cl)nc1C(=O)O)c1cc(C(F)(F)F)cc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C24H16ClF3N2O4/c1-12(29-17-7-8-20(25)30-21(17)23(32)33)15-9-14(24(26,27)28)10-16-18(31)11-19(34-22(15)16)13-5-3-2-4-6-13/h2-12,29H,1H3,(H,32,33)/t12-/m1/s1
InChIKeyURCAXHGANJSZAM-GFCCVEGCSA-N
MW488.85 g/mol
LogP6.40
Rot. Bonds5

About 6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid

6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid (PubChem CID 166111240) has the molecular formula C24H16ClF3N2O4 and a molecular weight of 488.85 g/mol. Its IUPAC name is 6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid
PubChem CID166111240
Molecular FormulaC24H16ClF3N2O4
Molecular Weight488.85 g/mol
Exact Mass488.08
IUPAC Name6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid
SMILESC[C@@H](Nc1ccc(Cl)nc1C(=O)O)c1cc(C(F)(F)F)cc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C24H16ClF3N2O4/c1-12(29-17-7-8-20(25)30-21(17)23(32)33)15-9-14(24(26,27)28)10-16-18(31)11-19(34-22(15)16)13-5-3-2-4-6-13/h2-12,29H,1H3,(H,32,33)/t12-/m1/s1
InChIKeyURCAXHGANJSZAM-GFCCVEGCSA-N
XLogP6.40
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.85
LogP ≤ 56.40
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-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid (CID 166111240) is 6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid is C[C@@H](Nc1ccc(Cl)nc1C(=O)O)c1cc(C(F)(F)F)cc2c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of 6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid?
The InChIKey is URCAXHGANJSZAM-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H16ClF3N2O4/c1-12(29-17-7-8-20(25)30-21(17)23(32)33)15-9-14(24(26,27)28)10-16-18(31)11-19(34-22(15)16)13-5-3-2-4-6-13/h2-12,29H,1H3,(H,32,33)/t12-/m1/s1.
What are the key properties of 6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid?
6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid has a molecular weight of 488.85 g/mol, XLogP of 6.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(1R)-1-[4-oxo-2-phenyl-6-(trifluoromethyl)chromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 166111240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).