5-chloro-3-methoxy-1H-pyridin-2-one

C6H6ClNO2 — CID 3023720

IUPAC5-chloro-3-methoxy-1H-pyridin-2-one
SMILESCOc1cc(Cl)c[nH]c1=O
InChIInChI=1S/C6H6ClNO2/c1-10-5-2-4(7)3-8-6(5)9/h2-3H,1H3,(H,8,9)
InChIKeyYERTYULGRITLAF-UHFFFAOYSA-N
MW159.57 g/mol
LogP1.04
Rot. Bonds1

About 5-chloro-3-methoxy-1H-pyridin-2-one

5-chloro-3-methoxy-1H-pyridin-2-one (PubChem CID 3023720) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is 5-chloro-3-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-methoxy-1H-pyridin-2-one
PubChem CID3023720
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Name5-chloro-3-methoxy-1H-pyridin-2-one
SMILESCOc1cc(Cl)c[nH]c1=O
InChIInChI=1S/C6H6ClNO2/c1-10-5-2-4(7)3-8-6(5)9/h2-3H,1H3,(H,8,9)
InChIKeyYERTYULGRITLAF-UHFFFAOYSA-N
XLogP1.04
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.57
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Pyridinediol, 5-chloro-
CID 97629
3-Methoxy-2-pyridone
CID 88731
5-Bromo-3-methoxypyridin-2(1H)-one
CID 70701126
3-Methoxypyridin-2-ol hydrochloride
CID 91659167
5-fluoro-3-methoxy-1H-pyridin-2-one
CID 130840624
5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 171552613
5-chloro-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089687
3,5-Dimethoxypyridin-2(1H)-one
CID 12307853
3-propoxy-1H-pyridin-2-one
CID 51713268
3-Ethoxypyridin-2(1H)-one
CID 68698502
5-Chloro-3-methoxy-1-methylpyridin-2-one
CID 70036929
(2-oxo-1H-pyridin-3-yl) carbonochloridate
CID 89413485

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-methoxy-1H-pyridin-2-one (CID 3023720) is 5-chloro-3-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-methoxy-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-methoxy-1H-pyridin-2-one is COc1cc(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-3-methoxy-1H-pyridin-2-one?
The InChIKey is YERTYULGRITLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2/c1-10-5-2-4(7)3-8-6(5)9/h2-3H,1H3,(H,8,9).
What are the key properties of 5-chloro-3-methoxy-1H-pyridin-2-one?
5-chloro-3-methoxy-1H-pyridin-2-one has a molecular weight of 159.57 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 3023720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).