pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone

C14H9F3N2O — CID 162399283

IUPACpyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone
SMILESO=C(c1ccccn1)N1CC(F)(F)c2ccc(F)cc21
InChIInChI=1S/C14H9F3N2O/c15-9-4-5-10-12(7-9)19(8-14(10,16)17)13(20)11-3-1-2-6-18-11/h1-7H,8H2
InChIKeyQPHXJXUPXVZSJK-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.97
Rot. Bonds1

About pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone

pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone (PubChem CID 162399283) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone.

Molecular Properties

Compound Namepyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone
PubChem CID162399283
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Namepyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone
SMILESO=C(c1ccccn1)N1CC(F)(F)c2ccc(F)cc21
InChIInChI=1S/C14H9F3N2O/c15-9-4-5-10-12(7-9)19(8-14(10,16)17)13(20)11-3-1-2-6-18-11/h1-7H,8H2
InChIKeyQPHXJXUPXVZSJK-UHFFFAOYSA-N
XLogP2.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
(5-fluoro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4906599
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
1H-Indol-1-ylphenylmethanone
CID 200283
Piberaline
CID 65975
(3-Azabicyclo[3.1.0]hexan-3-yl)(5-((3-fluorophenyl)ethynyl)pyridin-2-yl)methanone
CID 70789094
5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 9871891
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
1-Methyl-alpha-oxo-N-(2-(trifluoromethyl)phenyl)-1H-pyrrole-2-acetamide
CID 3762343
1-[(2,4-Difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbohydroxamic acid
CID 9948363
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11558926

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone?
The IUPAC name of pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone (CID 162399283) is pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone.
What is the SMILES notation for pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone?
The canonical SMILES for pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone is O=C(c1ccccn1)N1CC(F)(F)c2ccc(F)cc21.
What is the InChIKey of pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone?
The InChIKey is QPHXJXUPXVZSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-9-4-5-10-12(7-9)19(8-14(10,16)17)13(20)11-3-1-2-6-18-11/h1-7H,8H2.
What are the key properties of pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone?
pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone has a molecular weight of 278.23 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-(3,3,6-trifluoro-2H-indol-1-yl)methanone is sourced from PubChem (CID 162399283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).