1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one

C13H9F2N3O — CID 67579730

IUPAC1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(-c2cc(F)cc(F)c2)c2cccnc21
InChIInChI=1S/C13H9F2N3O/c1-17-12-11(3-2-4-16-12)18(13(17)19)10-6-8(14)5-9(15)7-10/h2-7H,1H3
InChIKeyOJACEMWTJNNAMK-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.00
Rot. Bonds1

About 1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one

1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 67579730) has the molecular formula C13H9F2N3O and a molecular weight of 261.23 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID67579730
Molecular FormulaC13H9F2N3O
Molecular Weight261.23 g/mol
Exact Mass261.07
IUPAC Name1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(-c2cc(F)cc(F)c2)c2cccnc21
InChIInChI=1S/C13H9F2N3O/c1-17-12-11(3-2-4-16-12)18(13(17)19)10-6-8(14)5-9(15)7-10/h2-7H,1H3
InChIKeyOJACEMWTJNNAMK-UHFFFAOYSA-N
XLogP2.00
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 67579730) is 1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(-c2cc(F)cc(F)c2)c2cccnc21.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is OJACEMWTJNNAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O/c1-17-12-11(3-2-4-16-12)18(13(17)19)10-6-8(14)5-9(15)7-10/h2-7H,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 261.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67579730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).