4-chloro-6-(difluoromethyl)pyrimidine

C5H3ClF2N2 — CID 71743382

IUPAC4-chloro-6-(difluoromethyl)pyrimidine
SMILESFC(F)c1cc(Cl)ncn1
InChIInChI=1S/C5H3ClF2N2/c6-4-1-3(5(7)8)9-2-10-4/h1-2,5H
InChIKeyBCHVKKJYBOONJO-UHFFFAOYSA-N
MW164.54 g/mol
LogP2.07
Rot. Bonds1

About 4-chloro-6-(difluoromethyl)pyrimidine

4-chloro-6-(difluoromethyl)pyrimidine (PubChem CID 71743382) has the molecular formula C5H3ClF2N2 and a molecular weight of 164.54 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)pyrimidine
PubChem CID71743382
Molecular FormulaC5H3ClF2N2
Molecular Weight164.54 g/mol
Exact Mass164.00
IUPAC Name4-chloro-6-(difluoromethyl)pyrimidine
SMILESFC(F)c1cc(Cl)ncn1
InChIInChI=1S/C5H3ClF2N2/c6-4-1-3(5(7)8)9-2-10-4/h1-2,5H
InChIKeyBCHVKKJYBOONJO-UHFFFAOYSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.54
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-6-(difluoromethyl)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 4-chloro-6-(difluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(difluoromethyl)pyrimidine (CID 71743382) is 4-chloro-6-(difluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(difluoromethyl)pyrimidine is FC(F)c1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-(difluoromethyl)pyrimidine?
The InChIKey is BCHVKKJYBOONJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2/c6-4-1-3(5(7)8)9-2-10-4/h1-2,5H.
What are the key properties of 4-chloro-6-(difluoromethyl)pyrimidine?
4-chloro-6-(difluoromethyl)pyrimidine has a molecular weight of 164.54 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethyl)pyrimidine is sourced from PubChem (CID 71743382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).