(3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone

C14H10F2N2O — CID 162399271

IUPAC(3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC(F)(F)c2ccccc21
InChIInChI=1S/C14H10F2N2O/c15-14(16)9-18(12-7-2-1-5-10(12)14)13(19)11-6-3-4-8-17-11/h1-8H,9H2
InChIKeyIWSZMQPYAYLSHY-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.83
Rot. Bonds1

About (3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone

(3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone (PubChem CID 162399271) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is (3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone
PubChem CID162399271
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name(3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC(F)(F)c2ccccc21
InChIInChI=1S/C14H10F2N2O/c15-14(16)9-18(12-7-2-1-5-10(12)14)13(19)11-6-3-4-8-17-11/h1-8H,9H2
InChIKeyIWSZMQPYAYLSHY-UHFFFAOYSA-N
XLogP2.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bupicomide
CID 31447
N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
1H-Indol-1-ylphenylmethanone
CID 200283
Piberaline
CID 65975
N-2-phenylethyl-1H-pyrrole-2-carboxamide
CID 16110286
(3-Azabicyclo[3.1.0]hexan-3-yl)(5-((3-fluorophenyl)ethynyl)pyridin-2-yl)methanone
CID 70789094
7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 10369373
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
1-Methyl-alpha-oxo-N-(2-(trifluoromethyl)phenyl)-1H-pyrrole-2-acetamide
CID 3762343
(3Z)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one
CID 5796182

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone?
The IUPAC name of (3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone (CID 162399271) is (3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CC(F)(F)c2ccccc21.
What is the InChIKey of (3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone?
The InChIKey is IWSZMQPYAYLSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-14(16)9-18(12-7-2-1-5-10(12)14)13(19)11-6-3-4-8-17-11/h1-8H,9H2.
What are the key properties of (3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone?
(3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone has a molecular weight of 260.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-2H-indol-1-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 162399271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).