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

C12H6F3N3 — CID 46315397

IUPAC3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)cc1-c1cccnc1
InChIInChI=1S/C12H6F3N3/c13-12(14,15)9-4-10(11(5-16)18-7-9)8-2-1-3-17-6-8/h1-4,6-7H
InChIKeyXQGQGYVZLBYMGM-UHFFFAOYSA-N
MW249.20 g/mol
LogP3.03
Rot. Bonds1

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

3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 46315397) has the molecular formula C12H6F3N3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID46315397
Molecular FormulaC12H6F3N3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)cc1-c1cccnc1
InChIInChI=1S/C12H6F3N3/c13-12(14,15)9-4-10(11(5-16)18-7-9)8-2-1-3-17-6-8/h1-4,6-7H
InChIKeyXQGQGYVZLBYMGM-UHFFFAOYSA-N
XLogP3.03
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 131870344
3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 130866916
2-[2-pyridin-3-yl-5-(trifluoromethyl)phenyl]acetonitrile
CID 46316257
2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 46317345
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288
3-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]pyridine
CID 46316443
3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine
CID 174924855
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
2-[3-pyridin-3-yl-4-(trifluoromethyl)phenyl]acetonitrile
CID 46316261
4-fluoro-2-pyridin-3-ylbenzonitrile
CID 46315558
formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 175894605
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile (CID 46315397) is 3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)(F)F)cc1-c1cccnc1.
What is the InChIKey of 3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is XQGQGYVZLBYMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3/c13-12(14,15)9-4-10(11(5-16)18-7-9)8-2-1-3-17-6-8/h1-4,6-7H.
What are the key properties of 3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile?
3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 249.20 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 46315397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).