6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one

C10H9ClF3N3O — CID 25093977

IUPAC6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(Cl)cc2n1CCCC(F)(F)F
InChIInChI=1S/C10H9ClF3N3O/c11-6-4-7-8(15-5-6)16-9(18)17(7)3-1-2-10(12,13)14/h4-5H,1-3H2,(H,15,16,18)
InChIKeyBYWHVGUVVPWTRF-UHFFFAOYSA-N
MW279.65 g/mol
LogP2.72
Rot. Bonds3

About 6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 25093977) has the molecular formula C10H9ClF3N3O and a molecular weight of 279.65 g/mol. Its IUPAC name is 6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID25093977
Molecular FormulaC10H9ClF3N3O
Molecular Weight279.65 g/mol
Exact Mass279.04
IUPAC Name6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(Cl)cc2n1CCCC(F)(F)F
InChIInChI=1S/C10H9ClF3N3O/c11-6-4-7-8(15-5-6)16-9(18)17(7)3-1-2-10(12,13)14/h4-5H,1-3H2,(H,15,16,18)
InChIKeyBYWHVGUVVPWTRF-UHFFFAOYSA-N
XLogP2.72
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 25093977) is 6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(Cl)cc2n1CCCC(F)(F)F.
What is the InChIKey of 6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is BYWHVGUVVPWTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O/c11-6-4-7-8(15-5-6)16-9(18)17(7)3-1-2-10(12,13)14/h4-5H,1-3H2,(H,15,16,18).
What are the key properties of 6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 279.65 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25093977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).