4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one

C7H7ClN2O — CID 137078771

IUPAC4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one
SMILES[H]/N=C/c1c(Cl)cc(C)[nH]c1=O
InChIInChI=1S/C7H7ClN2O/c1-4-2-6(8)5(3-9)7(11)10-4/h2-3,9H,1H3,(H,10,11)/b9-3+
InChIKeyBGZQNYWSHMNPPN-YCRREMRBSA-N
MW170.60 g/mol
LogP1.33
Rot. Bonds1

About 4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one

4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one (PubChem CID 137078771) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one
PubChem CID137078771
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one
SMILES[H]/N=C/c1c(Cl)cc(C)[nH]c1=O
InChIInChI=1S/C7H7ClN2O/c1-4-2-6(8)5(3-9)7(11)10-4/h2-3,9H,1H3,(H,10,11)/b9-3+
InChIKeyBGZQNYWSHMNPPN-YCRREMRBSA-N
XLogP1.33
TPSA56.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one (CID 137078771) is 4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one is [H]/N=C/c1c(Cl)cc(C)[nH]c1=O.
What is the InChIKey of 4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one?
The InChIKey is BGZQNYWSHMNPPN-YCRREMRBSA-N. The full InChI is InChI=1S/C7H7ClN2O/c1-4-2-6(8)5(3-9)7(11)10-4/h2-3,9H,1H3,(H,10,11)/b9-3+.
What are the key properties of 4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one?
4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one has a molecular weight of 170.60 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 137078771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).