1-benzyl-4-chloropyridin-2-one

C12H10ClNO — CID 10878660

IUPAC1-benzyl-4-chloropyridin-2-one
SMILESO=c1cc(Cl)ccn1Cc1ccccc1
InChIInChI=1S/C12H10ClNO/c13-11-6-7-14(12(15)8-11)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyPXDNWNMSFJEMED-UHFFFAOYSA-N
MW219.67 g/mol
LogP2.55
Rot. Bonds2

About 1-benzyl-4-chloropyridin-2-one

1-benzyl-4-chloropyridin-2-one (PubChem CID 10878660) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 1-benzyl-4-chloropyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-chloropyridin-2-one
PubChem CID10878660
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name1-benzyl-4-chloropyridin-2-one
SMILESO=c1cc(Cl)ccn1Cc1ccccc1
InChIInChI=1S/C12H10ClNO/c13-11-6-7-14(12(15)8-11)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyPXDNWNMSFJEMED-UHFFFAOYSA-N
XLogP2.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-chloropyridin-2-one?
The IUPAC name of 1-benzyl-4-chloropyridin-2-one (CID 10878660) is 1-benzyl-4-chloropyridin-2-one.
What is the SMILES notation for 1-benzyl-4-chloropyridin-2-one?
The canonical SMILES for 1-benzyl-4-chloropyridin-2-one is O=c1cc(Cl)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-chloropyridin-2-one?
The InChIKey is PXDNWNMSFJEMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-11-6-7-14(12(15)8-11)9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1-benzyl-4-chloropyridin-2-one?
1-benzyl-4-chloropyridin-2-one has a molecular weight of 219.67 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-chloropyridin-2-one is sourced from PubChem (CID 10878660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).