3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one

C7H9ClN2O — CID 123383133

IUPAC3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(NCl)c(=O)[nH]1
InChIInChI=1S/C7H9ClN2O/c1-4-3-5(2)9-7(11)6(4)10-8/h3,10H,1-2H3,(H,9,11)
InChIKeyDUKGPJLGFJQELH-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.56
Rot. Bonds1

About 3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one

3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 123383133) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one
PubChem CID123383133
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(NCl)c(=O)[nH]1
InChIInChI=1S/C7H9ClN2O/c1-4-3-5(2)9-7(11)6(4)10-8/h3,10H,1-2H3,(H,9,11)
InChIKeyDUKGPJLGFJQELH-UHFFFAOYSA-N
XLogP1.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one (CID 123383133) is 3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(NCl)c(=O)[nH]1.
What is the InChIKey of 3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is DUKGPJLGFJQELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-4-3-5(2)9-7(11)6(4)10-8/h3,10H,1-2H3,(H,9,11).
What are the key properties of 3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one?
3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 172.61 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloroamino)-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 123383133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).