1-(6-chloro-3-pyridinyl)pyridin-2-one

C10H7ClN2O — CID 135221335

IUPAC1-(6-chloro-3-pyridinyl)pyridin-2-one
SMILESO=c1ccccn1-c1ccc(Cl)nc1
InChIInChI=1S/C10H7ClN2O/c11-9-5-4-8(7-12-9)13-6-2-1-3-10(13)14/h1-7H
InChIKeySVMVOQZEHIAHLI-UHFFFAOYSA-N
MW206.63 g/mol
LogP1.89
Rot. Bonds1

About 1-(6-chloro-3-pyridinyl)pyridin-2-one

1-(6-chloro-3-pyridinyl)pyridin-2-one (PubChem CID 135221335) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)pyridin-2-one.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)pyridin-2-one
PubChem CID135221335
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name1-(6-chloro-3-pyridinyl)pyridin-2-one
SMILESO=c1ccccn1-c1ccc(Cl)nc1
InChIInChI=1S/C10H7ClN2O/c11-9-5-4-8(7-12-9)13-6-2-1-3-10(13)14/h1-7H
InChIKeySVMVOQZEHIAHLI-UHFFFAOYSA-N
XLogP1.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)pyridin-2-one?
The IUPAC name of 1-(6-chloro-3-pyridinyl)pyridin-2-one (CID 135221335) is 1-(6-chloro-3-pyridinyl)pyridin-2-one.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)pyridin-2-one?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)pyridin-2-one is O=c1ccccn1-c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)pyridin-2-one?
The InChIKey is SVMVOQZEHIAHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-9-5-4-8(7-12-9)13-6-2-1-3-10(13)14/h1-7H.
What are the key properties of 1-(6-chloro-3-pyridinyl)pyridin-2-one?
1-(6-chloro-3-pyridinyl)pyridin-2-one has a molecular weight of 206.63 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)pyridin-2-one is sourced from PubChem (CID 135221335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).