6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one

C8H10ClNO2 — CID 151140659

IUPAC6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one
SMILESCCc1c(OC)[nH]c(Cl)cc1=O
InChIInChI=1S/C8H10ClNO2/c1-3-5-6(11)4-7(9)10-8(5)12-2/h4H,3H2,1-2H3,(H,10,11)
InChIKeyMWDDJFMDYSPIIS-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.60
Rot. Bonds2

About 6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one

6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one (PubChem CID 151140659) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one
PubChem CID151140659
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one
SMILESCCc1c(OC)[nH]c(Cl)cc1=O
InChIInChI=1S/C8H10ClNO2/c1-3-5-6(11)4-7(9)10-8(5)12-2/h4H,3H2,1-2H3,(H,10,11)
InChIKeyMWDDJFMDYSPIIS-UHFFFAOYSA-N
XLogP1.60
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-4,6-dimethoxy-1H-pyrimidin-2-one
CID 45117370
5-chloro-6-methoxy-1H-pyridin-2-one
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3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
CID 130072304
methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate
CID 91196285
6-chloro-4-(methoxymethyl)-1H-pyridin-2-one
CID 123912022
N-[(6-cyano-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 118544441
5-ethyl-4-methoxy-1H-pyridazin-6-one
CID 153358157
N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544290
4-(4-chloro-3-methoxyphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136769434
7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
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6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione
CID 103417243
1-(5-chloro-2-methoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946125

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one?
The IUPAC name of 6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one (CID 151140659) is 6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one?
The canonical SMILES for 6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one is CCc1c(OC)[nH]c(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one?
The InChIKey is MWDDJFMDYSPIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-3-5-6(11)4-7(9)10-8(5)12-2/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one?
6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one has a molecular weight of 187.63 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-2-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 151140659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).