3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one

C7H7Cl2NO — CID 4691511

IUPAC3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(Cl)c(Cl)c1C
InChIInChI=1S/C7H7Cl2NO/c1-3-4(2)10-7(11)6(9)5(3)8/h1-2H3,(H,10,11)
InChIKeyRKHXJSXKRSXBOE-UHFFFAOYSA-N
MW192.04 g/mol
LogP2.30
Rot. Bonds

About 3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one

3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one (PubChem CID 4691511) has the molecular formula C7H7Cl2NO and a molecular weight of 192.04 g/mol. Its IUPAC name is 3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one
PubChem CID4691511
Molecular FormulaC7H7Cl2NO
Molecular Weight192.04 g/mol
Exact Mass190.99
IUPAC Name3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(Cl)c(Cl)c1C
InChIInChI=1S/C7H7Cl2NO/c1-3-4(2)10-7(11)6(9)5(3)8/h1-2H3,(H,10,11)
InChIKeyRKHXJSXKRSXBOE-UHFFFAOYSA-N
XLogP2.30
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one (CID 4691511) is 3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(Cl)c(Cl)c1C.
What is the InChIKey of 3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one?
The InChIKey is RKHXJSXKRSXBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c1-3-4(2)10-7(11)6(9)5(3)8/h1-2H3,(H,10,11).
What are the key properties of 3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one?
3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one has a molecular weight of 192.04 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 4691511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).