2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine

C11H9F2N3 — CID 170741416

IUPAC2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine
SMILESCc1cnc(-c2ncccn2)c(C(F)F)c1
InChIInChI=1S/C11H9F2N3/c1-7-5-8(10(12)13)9(16-6-7)11-14-3-2-4-15-11/h2-6,10H,1H3
InChIKeyCASZKRSJJWQXRG-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.78
Rot. Bonds2

About 2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine

2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine (PubChem CID 170741416) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine
PubChem CID170741416
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine
SMILESCc1cnc(-c2ncccn2)c(C(F)F)c1
InChIInChI=1S/C11H9F2N3/c1-7-5-8(10(12)13)9(16-6-7)11-14-3-2-4-15-11/h2-6,10H,1H3
InChIKeyCASZKRSJJWQXRG-UHFFFAOYSA-N
XLogP2.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]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-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine?
The IUPAC name of 2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine (CID 170741416) is 2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine is Cc1cnc(-c2ncccn2)c(C(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine?
The InChIKey is CASZKRSJJWQXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c1-7-5-8(10(12)13)9(16-6-7)11-14-3-2-4-15-11/h2-6,10H,1H3.
What are the key properties of 2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine?
2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine has a molecular weight of 221.21 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methyl-2-pyridinyl]pyrimidine is sourced from PubChem (CID 170741416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).