(2-methyl-4-pyridinyl)-phenylmethanone

C13H11NO — CID 12913274

IUPAC(2-methyl-4-pyridinyl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)ccn1
InChIInChI=1S/C13H11NO/c1-10-9-12(7-8-14-10)13(15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyXTMVNVYVPNLZIG-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.62
Rot. Bonds2

About (2-methyl-4-pyridinyl)-phenylmethanone

(2-methyl-4-pyridinyl)-phenylmethanone (PubChem CID 12913274) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is (2-methyl-4-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(2-methyl-4-pyridinyl)-phenylmethanone
PubChem CID12913274
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name(2-methyl-4-pyridinyl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)ccn1
InChIInChI=1S/C13H11NO/c1-10-9-12(7-8-14-10)13(15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyXTMVNVYVPNLZIG-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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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-pyridinyl)-phenylmethanone?
The IUPAC name of (2-methyl-4-pyridinyl)-phenylmethanone (CID 12913274) is (2-methyl-4-pyridinyl)-phenylmethanone.
What is the SMILES notation for (2-methyl-4-pyridinyl)-phenylmethanone?
The canonical SMILES for (2-methyl-4-pyridinyl)-phenylmethanone is Cc1cc(C(=O)c2ccccc2)ccn1.
What is the InChIKey of (2-methyl-4-pyridinyl)-phenylmethanone?
The InChIKey is XTMVNVYVPNLZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-10-9-12(7-8-14-10)13(15)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of (2-methyl-4-pyridinyl)-phenylmethanone?
(2-methyl-4-pyridinyl)-phenylmethanone 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-methyl-4-pyridinyl)-phenylmethanone is sourced from PubChem (CID 12913274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).