5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile

C11H5ClFN3 — CID 24901883

IUPAC5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
SMILESN#Cc1cc(-c2ccnc(Cl)n2)ccc1F
InChIInChI=1S/C11H5ClFN3/c12-11-15-4-3-10(16-11)7-1-2-9(13)8(5-7)6-14/h1-5H
InChIKeyVRBXMNQXKFKQKH-UHFFFAOYSA-N
MW233.63 g/mol
LogP2.81
Rot. Bonds1

About 5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile

5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile (PubChem CID 24901883) has the molecular formula C11H5ClFN3 and a molecular weight of 233.63 g/mol. Its IUPAC name is 5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
PubChem CID24901883
Molecular FormulaC11H5ClFN3
Molecular Weight233.63 g/mol
Exact Mass233.02
IUPAC Name5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
SMILESN#Cc1cc(-c2ccnc(Cl)n2)ccc1F
InChIInChI=1S/C11H5ClFN3/c12-11-15-4-3-10(16-11)7-1-2-9(13)8(5-7)6-14/h1-5H
InChIKeyVRBXMNQXKFKQKH-UHFFFAOYSA-N
XLogP2.81
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile 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 5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile?
The IUPAC name of 5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile (CID 24901883) is 5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile?
The canonical SMILES for 5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile is N#Cc1cc(-c2ccnc(Cl)n2)ccc1F.
What is the InChIKey of 5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile?
The InChIKey is VRBXMNQXKFKQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClFN3/c12-11-15-4-3-10(16-11)7-1-2-9(13)8(5-7)6-14/h1-5H.
What are the key properties of 5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile?
5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile has a molecular weight of 233.63 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile is sourced from PubChem (CID 24901883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).