2-chloro-5-(difluoromethoxy)pyrimidine

C5H3ClF2N2O — CID 57476557

IUPAC2-chloro-5-(difluoromethoxy)pyrimidine
SMILESFC(F)Oc1cnc(Cl)nc1
InChIInChI=1S/C5H3ClF2N2O/c6-4-9-1-3(2-10-4)11-5(7)8/h1-2,5H
InChIKeyWTSWSBPEZJCSMC-UHFFFAOYSA-N
MW180.54 g/mol
LogP1.73
Rot. Bonds2

About 2-chloro-5-(difluoromethoxy)pyrimidine

2-chloro-5-(difluoromethoxy)pyrimidine (PubChem CID 57476557) has the molecular formula C5H3ClF2N2O and a molecular weight of 180.54 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(difluoromethoxy)pyrimidine
PubChem CID57476557
Molecular FormulaC5H3ClF2N2O
Molecular Weight180.54 g/mol
Exact Mass179.99
IUPAC Name2-chloro-5-(difluoromethoxy)pyrimidine
SMILESFC(F)Oc1cnc(Cl)nc1
InChIInChI=1S/C5H3ClF2N2O/c6-4-9-1-3(2-10-4)11-5(7)8/h1-2,5H
InChIKeyWTSWSBPEZJCSMC-UHFFFAOYSA-N
XLogP1.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.54
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-(difluoromethoxy)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-5-(difluoromethoxy)pyrimidine?
The IUPAC name of 2-chloro-5-(difluoromethoxy)pyrimidine (CID 57476557) is 2-chloro-5-(difluoromethoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-(difluoromethoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-(difluoromethoxy)pyrimidine is FC(F)Oc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(difluoromethoxy)pyrimidine?
The InChIKey is WTSWSBPEZJCSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2O/c6-4-9-1-3(2-10-4)11-5(7)8/h1-2,5H.
What are the key properties of 2-chloro-5-(difluoromethoxy)pyrimidine?
2-chloro-5-(difluoromethoxy)pyrimidine has a molecular weight of 180.54 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(difluoromethoxy)pyrimidine is sourced from PubChem (CID 57476557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).