3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile

C13H7F3N2O — CID 134621656

IUPAC3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)19-10-4-1-3-9(7-10)11-5-2-6-18-12(11)8-17/h1-7H
InChIKeyUYYQWXVDICYDCX-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.52
Rot. Bonds2

About 3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile

3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile (PubChem CID 134621656) has the molecular formula C13H7F3N2O and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile
PubChem CID134621656
Molecular FormulaC13H7F3N2O
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)19-10-4-1-3-9(7-10)11-5-2-6-18-12(11)8-17/h1-7H
InChIKeyUYYQWXVDICYDCX-UHFFFAOYSA-N
XLogP3.52
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 134627473
4,5-difluoro-2-[3-(trifluoromethoxy)phenyl]benzonitrile
CID 172648931
5-[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477181
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086749
2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 119009018
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
5-[3-methyl-5-[3-(trifluoromethoxy)phenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477264
2-fluoro-5-iodo-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089048
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-pyrimidine-5-carbonitrile
CID 135524484

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile (CID 134621656) is 3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile is N#Cc1ncccc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile?
The InChIKey is UYYQWXVDICYDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O/c14-13(15,16)19-10-4-1-3-9(7-10)11-5-2-6-18-12(11)8-17/h1-7H.
What are the key properties of 3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile?
3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile has a molecular weight of 264.21 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 134621656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).