2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile

C18H9ClF4N4O — CID 149104020

IUPAC2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(-n2ccc(CC(=O)c3ccccc3C(F)(F)F)n2)nc1Cl
InChIInChI=1S/C18H9ClF4N4O/c19-16-10(9-24)7-14(20)17(25-16)27-6-5-11(26-27)8-15(28)12-3-1-2-4-13(12)18(21,22)23/h1-7H,8H2
InChIKeyQVHKCUPNDQRYJO-UHFFFAOYSA-N
MW408.74 g/mol
LogP4.38
Rot. Bonds4

About 2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile

2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile (PubChem CID 149104020) has the molecular formula C18H9ClF4N4O and a molecular weight of 408.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile
PubChem CID149104020
Molecular FormulaC18H9ClF4N4O
Molecular Weight408.74 g/mol
Exact Mass408.04
IUPAC Name2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(-n2ccc(CC(=O)c3ccccc3C(F)(F)F)n2)nc1Cl
InChIInChI=1S/C18H9ClF4N4O/c19-16-10(9-24)7-14(20)17(25-16)27-6-5-11(26-27)8-15(28)12-3-1-2-4-13(12)18(21,22)23/h1-7H,8H2
InChIKeyQVHKCUPNDQRYJO-UHFFFAOYSA-N
XLogP4.38
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.74
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile 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 2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile (CID 149104020) is 2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile is N#Cc1cc(F)c(-n2ccc(CC(=O)c3ccccc3C(F)(F)F)n2)nc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile?
The InChIKey is QVHKCUPNDQRYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF4N4O/c19-16-10(9-24)7-14(20)17(25-16)27-6-5-11(26-27)8-15(28)12-3-1-2-4-13(12)18(21,22)23/h1-7H,8H2.
What are the key properties of 2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile?
2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 408.74 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-[3-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]pyrazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 149104020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).