6-chloro-3-methylidenepyridin-2-one

C6H4ClNO — CID 76808848

IUPAC6-chloro-3-methylidenepyridin-2-one
SMILESC=C1C=CC(Cl)=NC1=O
InChIInChI=1S/C6H4ClNO/c1-4-2-3-5(7)8-6(4)9/h2-3H,1H2
InChIKeyYGPUVESGSRVKOR-UHFFFAOYSA-N
MW141.56 g/mol
LogP1.28
Rot. Bonds

About 6-chloro-3-methylidenepyridin-2-one

6-chloro-3-methylidenepyridin-2-one (PubChem CID 76808848) has the molecular formula C6H4ClNO and a molecular weight of 141.56 g/mol. Its IUPAC name is 6-chloro-3-methylidenepyridin-2-one.

Molecular Properties

Compound Name6-chloro-3-methylidenepyridin-2-one
PubChem CID76808848
Molecular FormulaC6H4ClNO
Molecular Weight141.56 g/mol
Exact Mass141.00
IUPAC Name6-chloro-3-methylidenepyridin-2-one
SMILESC=C1C=CC(Cl)=NC1=O
InChIInChI=1S/C6H4ClNO/c1-4-2-3-5(7)8-6(4)9/h2-3H,1H2
InChIKeyYGPUVESGSRVKOR-UHFFFAOYSA-N
XLogP1.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.56
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methylidenepyridin-2-one?
The IUPAC name of 6-chloro-3-methylidenepyridin-2-one (CID 76808848) is 6-chloro-3-methylidenepyridin-2-one.
What is the SMILES notation for 6-chloro-3-methylidenepyridin-2-one?
The canonical SMILES for 6-chloro-3-methylidenepyridin-2-one is C=C1C=CC(Cl)=NC1=O.
What is the InChIKey of 6-chloro-3-methylidenepyridin-2-one?
The InChIKey is YGPUVESGSRVKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO/c1-4-2-3-5(7)8-6(4)9/h2-3H,1H2.
What are the key properties of 6-chloro-3-methylidenepyridin-2-one?
6-chloro-3-methylidenepyridin-2-one has a molecular weight of 141.56 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methylidenepyridin-2-one is sourced from PubChem (CID 76808848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).