6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one

C12H8Cl2FNO2 — CID 146243620

IUPAC6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(-c2cc(Cl)cc(Cl)c2)cc(CO)c1F
InChIInChI=1S/C12H8Cl2FNO2/c13-8-1-6(2-9(14)4-8)10-3-7(5-17)11(15)12(18)16-10/h1-4,17H,5H2,(H,16,18)
InChIKeyDDTIMUPQECGHQT-UHFFFAOYSA-N
MW288.11 g/mol
LogP2.98
Rot. Bonds2

About 6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one

6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 146243620) has the molecular formula C12H8Cl2FNO2 and a molecular weight of 288.11 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID146243620
Molecular FormulaC12H8Cl2FNO2
Molecular Weight288.11 g/mol
Exact Mass286.99
IUPAC Name6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(-c2cc(Cl)cc(Cl)c2)cc(CO)c1F
InChIInChI=1S/C12H8Cl2FNO2/c13-8-1-6(2-9(14)4-8)10-3-7(5-17)11(15)12(18)16-10/h1-4,17H,5H2,(H,16,18)
InChIKeyDDTIMUPQECGHQT-UHFFFAOYSA-N
XLogP2.98
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one (CID 146243620) is 6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one is O=c1[nH]c(-c2cc(Cl)cc(Cl)c2)cc(CO)c1F.
What is the InChIKey of 6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is DDTIMUPQECGHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO2/c13-8-1-6(2-9(14)4-8)10-3-7(5-17)11(15)12(18)16-10/h1-4,17H,5H2,(H,16,18).
What are the key properties of 6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one?
6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 288.11 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-3-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 146243620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).