6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one

C11H14FN3O — CID 25093762

IUPAC6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCC(CC)n1c(=O)[nH]c2ncc(F)cc21
InChIInChI=1S/C11H14FN3O/c1-3-8(4-2)15-9-5-7(12)6-13-10(9)14-11(15)16/h5-6,8H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyQVXVWBNDINOPNW-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.22
Rot. Bonds3

About 6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one

6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 25093762) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID25093762
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCC(CC)n1c(=O)[nH]c2ncc(F)cc21
InChIInChI=1S/C11H14FN3O/c1-3-8(4-2)15-9-5-7(12)6-13-10(9)14-11(15)16/h5-6,8H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyQVXVWBNDINOPNW-UHFFFAOYSA-N
XLogP2.22
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one (CID 25093762) is 6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one is CCC(CC)n1c(=O)[nH]c2ncc(F)cc21.
What is the InChIKey of 6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is QVXVWBNDINOPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-3-8(4-2)15-9-5-7(12)6-13-10(9)14-11(15)16/h5-6,8H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 223.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25093762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).