6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one

C12H8ClF2NO — CID 163253579

IUPAC6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(Cc2ccc(Cl)cc2F)ccc1F
InChIInChI=1S/C12H8ClF2NO/c13-8-2-1-7(11(15)6-8)5-9-3-4-10(14)12(17)16-9/h1-4,6H,5H2,(H,16,17)
InChIKeyCFYYDCCUUAPMLI-UHFFFAOYSA-N
MW255.65 g/mol
LogP2.90
Rot. Bonds2

About 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one

6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one (PubChem CID 163253579) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one
PubChem CID163253579
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(Cc2ccc(Cl)cc2F)ccc1F
InChIInChI=1S/C12H8ClF2NO/c13-8-2-1-7(11(15)6-8)5-9-3-4-10(14)12(17)16-9/h1-4,6H,5H2,(H,16,17)
InChIKeyCFYYDCCUUAPMLI-UHFFFAOYSA-N
XLogP2.90
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one?
The IUPAC name of 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one (CID 163253579) is 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one is O=c1[nH]c(Cc2ccc(Cl)cc2F)ccc1F.
What is the InChIKey of 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one?
The InChIKey is CFYYDCCUUAPMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c13-8-2-1-7(11(15)6-8)5-9-3-4-10(14)12(17)16-9/h1-4,6H,5H2,(H,16,17).
What are the key properties of 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one?
6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one has a molecular weight of 255.65 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 163253579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).