pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone

C16H9F3N2O — CID 125474108

IUPACpyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone
SMILESO=C(c1ccccn1)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H9F3N2O/c17-16(18,19)10-4-5-11-12(6-8-21-14(11)9-10)15(22)13-3-1-2-7-20-13/h1-9H
InChIKeyJSURKXGEUBEJDS-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.88
Rot. Bonds2

About pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone

pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone (PubChem CID 125474108) has the molecular formula C16H9F3N2O and a molecular weight of 302.25 g/mol. Its IUPAC name is pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone
PubChem CID125474108
Molecular FormulaC16H9F3N2O
Molecular Weight302.25 g/mol
Exact Mass302.07
IUPAC Namepyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone
SMILESO=C(c1ccccn1)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H9F3N2O/c17-16(18,19)10-4-5-11-12(6-8-21-14(11)9-10)15(22)13-3-1-2-7-20-13/h1-9H
InChIKeyJSURKXGEUBEJDS-UHFFFAOYSA-N
XLogP3.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(trifluoromethyl)quinoline-5-carboxylic acid
CID 617812
2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 152740170
tert-butyl 2-[[7-(trifluoromethyl)quinoline-4-carbonyl]amino]acetate
CID 170539767
[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone
CID 125474347
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
1,1-difluoro-1-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpropan-2-one
CID 10758107
[4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118853780
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzoic acid
CID 62702784
[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone
CID 102752335
[5-nitro-2-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118830643
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone?
The IUPAC name of pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone (CID 125474108) is pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone?
The canonical SMILES for pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone is O=C(c1ccccn1)c1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone?
The InChIKey is JSURKXGEUBEJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O/c17-16(18,19)10-4-5-11-12(6-8-21-14(11)9-10)15(22)13-3-1-2-7-20-13/h1-9H.
What are the key properties of pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone?
pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone has a molecular weight of 302.25 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone is sourced from PubChem (CID 125474108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).