1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one

C12H7ClFN3O — CID 152605338

IUPAC1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnccc2n1-c1cc(F)ccc1Cl
InChIInChI=1S/C12H7ClFN3O/c13-8-2-1-7(14)5-11(8)17-10-3-4-15-6-9(10)16-12(17)18/h1-6H,(H,16,18)
InChIKeyYYJOQWJATKYIJY-UHFFFAOYSA-N
MW263.66 g/mol
LogP2.51
Rot. Bonds1

About 1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one

1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 152605338) has the molecular formula C12H7ClFN3O and a molecular weight of 263.66 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID152605338
Molecular FormulaC12H7ClFN3O
Molecular Weight263.66 g/mol
Exact Mass263.03
IUPAC Name1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnccc2n1-c1cc(F)ccc1Cl
InChIInChI=1S/C12H7ClFN3O/c13-8-2-1-7(14)5-11(8)17-10-3-4-15-6-9(10)16-12(17)18/h1-6H,(H,16,18)
InChIKeyYYJOQWJATKYIJY-UHFFFAOYSA-N
XLogP2.51
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 152605338) is 1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one is O=c1[nH]c2cnccc2n1-c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is YYJOQWJATKYIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O/c13-8-2-1-7(14)5-11(8)17-10-3-4-15-6-9(10)16-12(17)18/h1-6H,(H,16,18).
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one?
1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 263.66 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 152605338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).