(1-methyl-2H-pyridin-2-yl)-phenylmethanone

C13H13NO — CID 19788053

IUPAC(1-methyl-2H-pyridin-2-yl)-phenylmethanone
SMILESCN1C=CC=CC1C(=O)c1ccccc1
InChIInChI=1S/C13H13NO/c1-14-10-6-5-9-12(14)13(15)11-7-3-2-4-8-11/h2-10,12H,1H3
InChIKeyKTJWYQVNKGSNAU-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.25
Rot. Bonds2

About (1-methyl-2H-pyridin-2-yl)-phenylmethanone

(1-methyl-2H-pyridin-2-yl)-phenylmethanone (PubChem CID 19788053) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (1-methyl-2H-pyridin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-methyl-2H-pyridin-2-yl)-phenylmethanone
PubChem CID19788053
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(1-methyl-2H-pyridin-2-yl)-phenylmethanone
SMILESCN1C=CC=CC1C(=O)c1ccccc1
InChIInChI=1S/C13H13NO/c1-14-10-6-5-9-12(14)13(15)11-7-3-2-4-8-11/h2-10,12H,1H3
InChIKeyKTJWYQVNKGSNAU-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
CID 4269490
6,10b-dihydropyrido[1,2-b]isoindol-6-yl(phenyl)methanone
CID 135011218
(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 154355270
[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6348954
[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6565595
1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone
CID 158243985
[6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone
CID 154101904
2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 136630217
benzoic acid;(1R,2S)-cyclohexa-3,5-diene-1,2-diol
CID 71406115
[(3R,5R)-1-(2-aminoethyl)-5-benzoylpiperidin-3-yl]-phenylmethanone
CID 69173427
2-benzoyl-4-methyl-1,4-thiazin-3-one
CID 134987118
3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 141002984

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2H-pyridin-2-yl)-phenylmethanone?
The IUPAC name of (1-methyl-2H-pyridin-2-yl)-phenylmethanone (CID 19788053) is (1-methyl-2H-pyridin-2-yl)-phenylmethanone.
What is the SMILES notation for (1-methyl-2H-pyridin-2-yl)-phenylmethanone?
The canonical SMILES for (1-methyl-2H-pyridin-2-yl)-phenylmethanone is CN1C=CC=CC1C(=O)c1ccccc1.
What is the InChIKey of (1-methyl-2H-pyridin-2-yl)-phenylmethanone?
The InChIKey is KTJWYQVNKGSNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-14-10-6-5-9-12(14)13(15)11-7-3-2-4-8-11/h2-10,12H,1H3.
What are the key properties of (1-methyl-2H-pyridin-2-yl)-phenylmethanone?
(1-methyl-2H-pyridin-2-yl)-phenylmethanone has a molecular weight of 199.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2H-pyridin-2-yl)-phenylmethanone is sourced from PubChem (CID 19788053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).