6-chloro-4-methylpyran-2-one

C6H5ClO2 — CID 5324880

IUPAC6-chloro-4-methylpyran-2-one
SMILESCc1cc(Cl)oc(=O)c1
InChIInChI=1S/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3
InChIKeyKFWDYTKVJCDIEP-UHFFFAOYSA-N
MW144.56 g/mol
LogP1.60
Rot. Bonds

About 6-chloro-4-methylpyran-2-one

6-chloro-4-methylpyran-2-one (PubChem CID 5324880) has the molecular formula C6H5ClO2 and a molecular weight of 144.56 g/mol. Its IUPAC name is 6-chloro-4-methylpyran-2-one.

Molecular Properties

Compound Name6-chloro-4-methylpyran-2-one
PubChem CID5324880
Molecular FormulaC6H5ClO2
Molecular Weight144.56 g/mol
Exact Mass144.00
IUPAC Name6-chloro-4-methylpyran-2-one
SMILESCc1cc(Cl)oc(=O)c1
InChIInChI=1S/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3
InChIKeyKFWDYTKVJCDIEP-UHFFFAOYSA-N
XLogP1.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methylpyran-2-one?
The IUPAC name of 6-chloro-4-methylpyran-2-one (CID 5324880) is 6-chloro-4-methylpyran-2-one.
What is the SMILES notation for 6-chloro-4-methylpyran-2-one?
The canonical SMILES for 6-chloro-4-methylpyran-2-one is Cc1cc(Cl)oc(=O)c1.
What is the InChIKey of 6-chloro-4-methylpyran-2-one?
The InChIKey is KFWDYTKVJCDIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3.
What are the key properties of 6-chloro-4-methylpyran-2-one?
6-chloro-4-methylpyran-2-one has a molecular weight of 144.56 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methylpyran-2-one is sourced from PubChem (CID 5324880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).