(2-methylphenyl)-pyridin-4-ylmethanone

C13H11NO — CID 19957162

IUPAC(2-methylphenyl)-pyridin-4-ylmethanone
SMILESCc1ccccc1C(=O)c1ccncc1
InChIInChI=1S/C13H11NO/c1-10-4-2-3-5-12(10)13(15)11-6-8-14-9-7-11/h2-9H,1H3
InChIKeyIEDFSFWHYQLYCE-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.62
Rot. Bonds2

About (2-methylphenyl)-pyridin-4-ylmethanone

(2-methylphenyl)-pyridin-4-ylmethanone (PubChem CID 19957162) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is (2-methylphenyl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(2-methylphenyl)-pyridin-4-ylmethanone
PubChem CID19957162
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name(2-methylphenyl)-pyridin-4-ylmethanone
SMILESCc1ccccc1C(=O)c1ccncc1
InChIInChI=1S/C13H11NO/c1-10-4-2-3-5-12(10)13(15)11-6-8-14-9-7-11/h2-9H,1H3
InChIKeyIEDFSFWHYQLYCE-UHFFFAOYSA-N
XLogP2.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone
CID 21432102
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
pyridin-4-yl-(2,3,4-trimethylphenyl)methanone
CID 157331171
(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
CID 175125540
1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715
[4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone
CID 118829696
1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone
CID 14765290
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
(3-hydroxyphenyl)-(2-methylphenyl)methanone
CID 68613493
1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone
CID 159062825
2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
CID 76971075

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-pyridin-4-ylmethanone?
The IUPAC name of (2-methylphenyl)-pyridin-4-ylmethanone (CID 19957162) is (2-methylphenyl)-pyridin-4-ylmethanone.
What is the SMILES notation for (2-methylphenyl)-pyridin-4-ylmethanone?
The canonical SMILES for (2-methylphenyl)-pyridin-4-ylmethanone is Cc1ccccc1C(=O)c1ccncc1.
What is the InChIKey of (2-methylphenyl)-pyridin-4-ylmethanone?
The InChIKey is IEDFSFWHYQLYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-10-4-2-3-5-12(10)13(15)11-6-8-14-9-7-11/h2-9H,1H3.
What are the key properties of (2-methylphenyl)-pyridin-4-ylmethanone?
(2-methylphenyl)-pyridin-4-ylmethanone has a molecular weight of 197.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-pyridin-4-ylmethanone is sourced from PubChem (CID 19957162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).