(1-benzyl-2H-pyridin-4-yl)-phenylmethanone

C19H17NO — CID 20805356

IUPAC(1-benzyl-2H-pyridin-4-yl)-phenylmethanone
SMILESO=C(C1=CCN(Cc2ccccc2)C=C1)c1ccccc1
InChIInChI=1S/C19H17NO/c21-19(17-9-5-2-6-10-17)18-11-13-20(14-12-18)15-16-7-3-1-4-8-16/h1-13H,14-15H2
InChIKeyJBFOGSLQIJGKMX-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.83
Rot. Bonds4

About (1-benzyl-2H-pyridin-4-yl)-phenylmethanone

(1-benzyl-2H-pyridin-4-yl)-phenylmethanone (PubChem CID 20805356) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (1-benzyl-2H-pyridin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-benzyl-2H-pyridin-4-yl)-phenylmethanone
PubChem CID20805356
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(1-benzyl-2H-pyridin-4-yl)-phenylmethanone
SMILESO=C(C1=CCN(Cc2ccccc2)C=C1)c1ccccc1
InChIInChI=1S/C19H17NO/c21-19(17-9-5-2-6-10-17)18-11-13-20(14-12-18)15-16-7-3-1-4-8-16/h1-13H,14-15H2
InChIKeyJBFOGSLQIJGKMX-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2H-pyridin-4-yl)-phenylmethanone?
The IUPAC name of (1-benzyl-2H-pyridin-4-yl)-phenylmethanone (CID 20805356) is (1-benzyl-2H-pyridin-4-yl)-phenylmethanone.
What is the SMILES notation for (1-benzyl-2H-pyridin-4-yl)-phenylmethanone?
The canonical SMILES for (1-benzyl-2H-pyridin-4-yl)-phenylmethanone is O=C(C1=CCN(Cc2ccccc2)C=C1)c1ccccc1.
What is the InChIKey of (1-benzyl-2H-pyridin-4-yl)-phenylmethanone?
The InChIKey is JBFOGSLQIJGKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c21-19(17-9-5-2-6-10-17)18-11-13-20(14-12-18)15-16-7-3-1-4-8-16/h1-13H,14-15H2.
What are the key properties of (1-benzyl-2H-pyridin-4-yl)-phenylmethanone?
(1-benzyl-2H-pyridin-4-yl)-phenylmethanone has a molecular weight of 275.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2H-pyridin-4-yl)-phenylmethanone is sourced from PubChem (CID 20805356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).