3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile

C15H8ClFN4 — CID 90646680

IUPAC3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile
SMILESN#Cc1cc(Cl)c(F)c(-c2cc(-n3cccn3)ccn2)c1
InChIInChI=1S/C15H8ClFN4/c16-13-7-10(9-18)6-12(15(13)17)14-8-11(2-4-19-14)21-5-1-3-20-21/h1-8H
InChIKeyRACFFTITZYKUJZ-UHFFFAOYSA-N
MW298.71 g/mol
LogP3.60
Rot. Bonds2

About 3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile

3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile (PubChem CID 90646680) has the molecular formula C15H8ClFN4 and a molecular weight of 298.71 g/mol. Its IUPAC name is 3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile
PubChem CID90646680
Molecular FormulaC15H8ClFN4
Molecular Weight298.71 g/mol
Exact Mass298.04
IUPAC Name3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile
SMILESN#Cc1cc(Cl)c(F)c(-c2cc(-n3cccn3)ccn2)c1
InChIInChI=1S/C15H8ClFN4/c16-13-7-10(9-18)6-12(15(13)17)14-8-11(2-4-19-14)21-5-1-3-20-21/h1-8H
InChIKeyRACFFTITZYKUJZ-UHFFFAOYSA-N
XLogP3.60
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile 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 3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile?
The IUPAC name of 3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile (CID 90646680) is 3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile?
The canonical SMILES for 3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile is N#Cc1cc(Cl)c(F)c(-c2cc(-n3cccn3)ccn2)c1.
What is the InChIKey of 3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile?
The InChIKey is RACFFTITZYKUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN4/c16-13-7-10(9-18)6-12(15(13)17)14-8-11(2-4-19-14)21-5-1-3-20-21/h1-8H.
What are the key properties of 3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile?
3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile has a molecular weight of 298.71 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-5-(4-pyrazol-1-yl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 90646680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).