3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one

C6H5ClFNO2 — CID 166517675

IUPAC3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one
SMILESCOc1[nH]cc(F)c(=O)c1Cl
InChIInChI=1S/C6H5ClFNO2/c1-11-6-4(7)5(10)3(8)2-9-6/h2H,1H3,(H,9,10)
InChIKeyIAOVPXDAWAMMAF-UHFFFAOYSA-N
MW177.56 g/mol
LogP1.18
Rot. Bonds1

About 3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one

3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one (PubChem CID 166517675) has the molecular formula C6H5ClFNO2 and a molecular weight of 177.56 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one
PubChem CID166517675
Molecular FormulaC6H5ClFNO2
Molecular Weight177.56 g/mol
Exact Mass177.00
IUPAC Name3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one
SMILESCOc1[nH]cc(F)c(=O)c1Cl
InChIInChI=1S/C6H5ClFNO2/c1-11-6-4(7)5(10)3(8)2-9-6/h2H,1H3,(H,9,10)
InChIKeyIAOVPXDAWAMMAF-UHFFFAOYSA-N
XLogP1.18
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.56
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one?
The IUPAC name of 3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one (CID 166517675) is 3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one is COc1[nH]cc(F)c(=O)c1Cl.
What is the InChIKey of 3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one?
The InChIKey is IAOVPXDAWAMMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO2/c1-11-6-4(7)5(10)3(8)2-9-6/h2H,1H3,(H,9,10).
What are the key properties of 3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one?
3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one has a molecular weight of 177.56 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 166517675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).