5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine

C11H7ClF3N3 — CID 122534151

IUPAC5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine
SMILESFCc1ncc(-c2cnc(C(F)F)c(Cl)c2)cn1
InChIInChI=1S/C11H7ClF3N3/c12-8-1-6(3-18-10(8)11(14)15)7-4-16-9(2-13)17-5-7/h1,3-5,11H,2H2
InChIKeyQUSJXQCITDMUDY-UHFFFAOYSA-N
MW273.65 g/mol
LogP3.60
Rot. Bonds3

About 5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine

5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine (PubChem CID 122534151) has the molecular formula C11H7ClF3N3 and a molecular weight of 273.65 g/mol. Its IUPAC name is 5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine
PubChem CID122534151
Molecular FormulaC11H7ClF3N3
Molecular Weight273.65 g/mol
Exact Mass273.03
IUPAC Name5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine
SMILESFCc1ncc(-c2cnc(C(F)F)c(Cl)c2)cn1
InChIInChI=1S/C11H7ClF3N3/c12-8-1-6(3-18-10(8)11(14)15)7-4-16-9(2-13)17-5-7/h1,3-5,11H,2H2
InChIKeyQUSJXQCITDMUDY-UHFFFAOYSA-N
XLogP3.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.65
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-(difluoromethyl)pyridine
CID 60622989
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
CID 130095506
5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine
CID 130095561
3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130108110
6-(difluoromethyl)-5-(fluoromethyl)pyridin-3-amine
CID 130094773
2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine
CID 130096365
4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099347
5-chloro-2-(difluoromethyl)-3,4-diiodopyridine
CID 130100445
[5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130071902
3,5-dichloro-2-(difluoromethyl)-4-methylpyridine
CID 130099262
5-chloro-2-(difluoromethyl)pyridin-3-amine
CID 130094579
3-(chloromethyl)-2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine;hydrochloride
CID 155385696

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine?
The IUPAC name of 5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine (CID 122534151) is 5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine.
What is the SMILES notation for 5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine?
The canonical SMILES for 5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine is FCc1ncc(-c2cnc(C(F)F)c(Cl)c2)cn1.
What is the InChIKey of 5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine?
The InChIKey is QUSJXQCITDMUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3/c12-8-1-6(3-18-10(8)11(14)15)7-4-16-9(2-13)17-5-7/h1,3-5,11H,2H2.
What are the key properties of 5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine?
5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine has a molecular weight of 273.65 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine is sourced from PubChem (CID 122534151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).