3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine

C11H6ClF3N2 — CID 46315375

IUPAC3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(-c2cccnc2)c(Cl)c1
InChIInChI=1S/C11H6ClF3N2/c12-9-4-8(11(13,14)15)6-17-10(9)7-2-1-3-16-5-7/h1-6H
InChIKeyYWCZZOMGJVJWSH-UHFFFAOYSA-N
MW258.63 g/mol
LogP3.82
Rot. Bonds1

About 3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine

3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine (PubChem CID 46315375) has the molecular formula C11H6ClF3N2 and a molecular weight of 258.63 g/mol. Its IUPAC name is 3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine
PubChem CID46315375
Molecular FormulaC11H6ClF3N2
Molecular Weight258.63 g/mol
Exact Mass258.02
IUPAC Name3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(-c2cccnc2)c(Cl)c1
InChIInChI=1S/C11H6ClF3N2/c12-9-4-8(11(13,14)15)6-17-10(9)7-2-1-3-16-5-7/h1-6H
InChIKeyYWCZZOMGJVJWSH-UHFFFAOYSA-N
XLogP3.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.63
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine (CID 46315375) is 3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(-c2cccnc2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine?
The InChIKey is YWCZZOMGJVJWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2/c12-9-4-8(11(13,14)15)6-17-10(9)7-2-1-3-16-5-7/h1-6H.
What are the key properties of 3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine?
3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine has a molecular weight of 258.63 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-pyridin-3-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 46315375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).