6-chloro-1H-pyridin-2-one;1H-pyridin-2-one

C10H9ClN2O2 — CID 87792012

IUPAC6-chloro-1H-pyridin-2-one;1H-pyridin-2-one
SMILESO=c1cccc(Cl)[nH]1.O=c1cccc[nH]1
InChIInChI=1S/C5H4ClNO.C5H5NO/c6-4-2-1-3-5(8)7-4;7-5-3-1-2-4-6-5/h1-3H,(H,7,8);1-4H,(H,6,7)
InChIKeyJBHMGIOLSOLPOL-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.40
Rot. Bonds

About 6-chloro-1H-pyridin-2-one;1H-pyridin-2-one

6-chloro-1H-pyridin-2-one;1H-pyridin-2-one (PubChem CID 87792012) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 6-chloro-1H-pyridin-2-one;1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1H-pyridin-2-one;1H-pyridin-2-one
PubChem CID87792012
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name6-chloro-1H-pyridin-2-one;1H-pyridin-2-one
SMILESO=c1cccc(Cl)[nH]1.O=c1cccc[nH]1
InChIInChI=1S/C5H4ClNO.C5H5NO/c6-4-2-1-3-5(8)7-4;7-5-3-1-2-4-6-5/h1-3H,(H,7,8);1-4H,(H,6,7)
InChIKeyJBHMGIOLSOLPOL-UHFFFAOYSA-N
XLogP1.40
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-chloro-1H-pyridin-2-one;1H-pyridin-2-one?
The IUPAC name of 6-chloro-1H-pyridin-2-one;1H-pyridin-2-one (CID 87792012) is 6-chloro-1H-pyridin-2-one;1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-1H-pyridin-2-one;1H-pyridin-2-one?
The canonical SMILES for 6-chloro-1H-pyridin-2-one;1H-pyridin-2-one is O=c1cccc(Cl)[nH]1.O=c1cccc[nH]1.
What is the InChIKey of 6-chloro-1H-pyridin-2-one;1H-pyridin-2-one?
The InChIKey is JBHMGIOLSOLPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO.C5H5NO/c6-4-2-1-3-5(8)7-4;7-5-3-1-2-4-6-5/h1-3H,(H,7,8);1-4H,(H,6,7).
What are the key properties of 6-chloro-1H-pyridin-2-one;1H-pyridin-2-one?
6-chloro-1H-pyridin-2-one;1H-pyridin-2-one has a molecular weight of 224.65 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1H-pyridin-2-one;1H-pyridin-2-one is sourced from PubChem (CID 87792012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).