2-chloro-4-(2,3-difluorophenyl)pyrimidine

C10H5ClF2N2 — CID 24901991

IUPAC2-chloro-4-(2,3-difluorophenyl)pyrimidine
SMILESFc1cccc(-c2ccnc(Cl)n2)c1F
InChIInChI=1S/C10H5ClF2N2/c11-10-14-5-4-8(15-10)6-2-1-3-7(12)9(6)13/h1-5H
InChIKeyYEWPSRWOOSFYHV-UHFFFAOYSA-N
MW226.61 g/mol
LogP3.08
Rot. Bonds1

About 2-chloro-4-(2,3-difluorophenyl)pyrimidine

2-chloro-4-(2,3-difluorophenyl)pyrimidine (PubChem CID 24901991) has the molecular formula C10H5ClF2N2 and a molecular weight of 226.61 g/mol. Its IUPAC name is 2-chloro-4-(2,3-difluorophenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,3-difluorophenyl)pyrimidine
PubChem CID24901991
Molecular FormulaC10H5ClF2N2
Molecular Weight226.61 g/mol
Exact Mass226.01
IUPAC Name2-chloro-4-(2,3-difluorophenyl)pyrimidine
SMILESFc1cccc(-c2ccnc(Cl)n2)c1F
InChIInChI=1S/C10H5ClF2N2/c11-10-14-5-4-8(15-10)6-2-1-3-7(12)9(6)13/h1-5H
InChIKeyYEWPSRWOOSFYHV-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.61
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-(2,3-difluorophenyl)pyrimidine 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-4-(2,3-difluorophenyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2,3-difluorophenyl)pyrimidine (CID 24901991) is 2-chloro-4-(2,3-difluorophenyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2,3-difluorophenyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2,3-difluorophenyl)pyrimidine is Fc1cccc(-c2ccnc(Cl)n2)c1F.
What is the InChIKey of 2-chloro-4-(2,3-difluorophenyl)pyrimidine?
The InChIKey is YEWPSRWOOSFYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2/c11-10-14-5-4-8(15-10)6-2-1-3-7(12)9(6)13/h1-5H.
What are the key properties of 2-chloro-4-(2,3-difluorophenyl)pyrimidine?
2-chloro-4-(2,3-difluorophenyl)pyrimidine has a molecular weight of 226.61 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3-difluorophenyl)pyrimidine is sourced from PubChem (CID 24901991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).