5-chloro-3-methoxy-1-methylpyridin-2-one

C7H8ClNO2 — CID 70036929

IUPAC5-chloro-3-methoxy-1-methylpyridin-2-one
SMILESCOc1cc(Cl)cn(C)c1=O
InChIInChI=1S/C7H8ClNO2/c1-9-4-5(8)3-6(11-2)7(9)10/h3-4H,1-2H3
InChIKeyPFHRKFSQWPIPHS-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.05
Rot. Bonds1

About 5-chloro-3-methoxy-1-methylpyridin-2-one

5-chloro-3-methoxy-1-methylpyridin-2-one (PubChem CID 70036929) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is 5-chloro-3-methoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-methoxy-1-methylpyridin-2-one
PubChem CID70036929
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Name5-chloro-3-methoxy-1-methylpyridin-2-one
SMILESCOc1cc(Cl)cn(C)c1=O
InChIInChI=1S/C7H8ClNO2/c1-9-4-5(8)3-6(11-2)7(9)10/h3-4H,1-2H3
InChIKeyPFHRKFSQWPIPHS-UHFFFAOYSA-N
XLogP1.05
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-3-methoxy-1H-pyridin-2-one
CID 3023720
5-Bromo-3-methoxy-1-methyl-1,2-dihydropyridin-2-one
CID 101667718
3-Methoxypyridin-2-ol hydrochloride
CID 91659167
5-Fluoro-3-methoxy-1-methylpyridin-2-one
CID 68092063
3-Methoxy-1-methylpyridin-2-one
CID 587024
InChI=1/C7H9NO3/c1-10-6-4-3-5-8(11-2)7(6)9/h3-5H,1-2H
CID 15939328
2(1H)-Pyridinone, 1-methyl-3-propoxy-
CID 11321179
Trifluoro-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)boranuide
CID 167726433
3-Methoxy-1-propylpyridin-2-one
CID 10678659
1-ethyl-3-methoxy-2(1H)-pyridone
CID 10844581
3-Methoxy-1-prop-2-enylpyridin-2-one
CID 58550103
5-Chloro-3-hydroxy-1-methylpyridin-2-one
CID 70037394

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-1-methylpyridin-2-one?
The IUPAC name of 5-chloro-3-methoxy-1-methylpyridin-2-one (CID 70036929) is 5-chloro-3-methoxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-chloro-3-methoxy-1-methylpyridin-2-one?
The canonical SMILES for 5-chloro-3-methoxy-1-methylpyridin-2-one is COc1cc(Cl)cn(C)c1=O.
What is the InChIKey of 5-chloro-3-methoxy-1-methylpyridin-2-one?
The InChIKey is PFHRKFSQWPIPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c1-9-4-5(8)3-6(11-2)7(9)10/h3-4H,1-2H3.
What are the key properties of 5-chloro-3-methoxy-1-methylpyridin-2-one?
5-chloro-3-methoxy-1-methylpyridin-2-one has a molecular weight of 173.60 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-1-methylpyridin-2-one is sourced from PubChem (CID 70036929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).