7-(trifluoromethoxy)quinoline-3-carbonitrile

C11H5F3N2O — CID 143333588

IUPAC7-(trifluoromethoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(OC(F)(F)F)ccc2c1
InChIInChI=1S/C11H5F3N2O/c12-11(13,14)17-9-2-1-8-3-7(5-15)6-16-10(8)4-9/h1-4,6H
InChIKeySURDOKRCCIYUSJ-UHFFFAOYSA-N
MW238.17 g/mol
LogP3.01
Rot. Bonds1

About 7-(trifluoromethoxy)quinoline-3-carbonitrile

7-(trifluoromethoxy)quinoline-3-carbonitrile (PubChem CID 143333588) has the molecular formula C11H5F3N2O and a molecular weight of 238.17 g/mol. Its IUPAC name is 7-(trifluoromethoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-(trifluoromethoxy)quinoline-3-carbonitrile
PubChem CID143333588
Molecular FormulaC11H5F3N2O
Molecular Weight238.17 g/mol
Exact Mass238.04
IUPAC Name7-(trifluoromethoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(OC(F)(F)F)ccc2c1
InChIInChI=1S/C11H5F3N2O/c12-11(13,14)17-9-2-1-8-3-7(5-15)6-16-10(8)4-9/h1-4,6H
InChIKeySURDOKRCCIYUSJ-UHFFFAOYSA-N
XLogP3.01
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxybenzo[g]quinoline-3-carbonitrile
CID 70112486
5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091817
ethane;5-ethynyl-2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethoxy)pyridine
CID 145255387
2-fluoro-4-(trifluoromethoxy)benzonitrile
CID 66523443
3-ethyl-6-(trifluoromethoxy)quinoline
CID 163899089
5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091929
5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 134629098
2-bromo-6-(trifluoromethoxy)indazole
CID 150469832
2-hydroxy-5-(trifluoromethoxy)benzonitrile
CID 24721643
8-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[g]quinoline-3-carbonitrile
CID 141044989
2-nitro-5-(trifluoromethoxy)benzonitrile
CID 45073540
2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 11391442

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethoxy)quinoline-3-carbonitrile?
The IUPAC name of 7-(trifluoromethoxy)quinoline-3-carbonitrile (CID 143333588) is 7-(trifluoromethoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 7-(trifluoromethoxy)quinoline-3-carbonitrile?
The canonical SMILES for 7-(trifluoromethoxy)quinoline-3-carbonitrile is N#Cc1cnc2cc(OC(F)(F)F)ccc2c1.
What is the InChIKey of 7-(trifluoromethoxy)quinoline-3-carbonitrile?
The InChIKey is SURDOKRCCIYUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N2O/c12-11(13,14)17-9-2-1-8-3-7(5-15)6-16-10(8)4-9/h1-4,6H.
What are the key properties of 7-(trifluoromethoxy)quinoline-3-carbonitrile?
7-(trifluoromethoxy)quinoline-3-carbonitrile has a molecular weight of 238.17 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 143333588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).