4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine

C10H5ClF3N3 — CID 1485990

IUPAC4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Cl)nc(-c2cccnc2)n1
InChIInChI=1S/C10H5ClF3N3/c11-8-4-7(10(12,13)14)16-9(17-8)6-2-1-3-15-5-6/h1-5H
InChIKeyJHVGKOOKRVOCKZ-UHFFFAOYSA-N
MW259.62 g/mol
LogP3.21
Rot. Bonds1

About 4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine

4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 1485990) has the molecular formula C10H5ClF3N3 and a molecular weight of 259.62 g/mol. Its IUPAC name is 4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine
PubChem CID1485990
Molecular FormulaC10H5ClF3N3
Molecular Weight259.62 g/mol
Exact Mass259.01
IUPAC Name4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Cl)nc(-c2cccnc2)n1
InChIInChI=1S/C10H5ClF3N3/c11-8-4-7(10(12,13)14)16-9(17-8)6-2-1-3-15-5-6/h1-5H
InChIKeyJHVGKOOKRVOCKZ-UHFFFAOYSA-N
XLogP3.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.62
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine (CID 1485990) is 4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(Cl)nc(-c2cccnc2)n1.
What is the InChIKey of 4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is JHVGKOOKRVOCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3/c11-8-4-7(10(12,13)14)16-9(17-8)6-2-1-3-15-5-6/h1-5H.
What are the key properties of 4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine?
4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 259.62 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 1485990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).