phenyl(pyridin-4-yl)methanone

C12H9NO — CID 26731

IUPACphenyl(pyridin-4-yl)methanone
SMILESO=C(c1ccccc1)c1ccncc1
InChIInChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H
InChIKeySKFLCXNDKRUHTA-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.31
Rot. Bonds2

About phenyl(pyridin-4-yl)methanone

phenyl(pyridin-4-yl)methanone (PubChem CID 26731) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is phenyl(pyridin-4-yl)methanone.

Molecular Properties

Compound Namephenyl(pyridin-4-yl)methanone
PubChem CID26731
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Namephenyl(pyridin-4-yl)methanone
SMILESO=C(c1ccccc1)c1ccncc1
InChIInChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H
InChIKeySKFLCXNDKRUHTA-UHFFFAOYSA-N
XLogP2.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl(pyridin-4-yl)methanone?
The IUPAC name of phenyl(pyridin-4-yl)methanone (CID 26731) is phenyl(pyridin-4-yl)methanone.
What is the SMILES notation for phenyl(pyridin-4-yl)methanone?
The canonical SMILES for phenyl(pyridin-4-yl)methanone is O=C(c1ccccc1)c1ccncc1.
What is the InChIKey of phenyl(pyridin-4-yl)methanone?
The InChIKey is SKFLCXNDKRUHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H.
What are the key properties of phenyl(pyridin-4-yl)methanone?
phenyl(pyridin-4-yl)methanone has a molecular weight of 183.21 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyridin-4-yl)methanone is sourced from PubChem (CID 26731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).