4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C10H6BrF2N3O — CID 156894996

IUPAC4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCC(F)F)cc(Br)c12
InChIInChI=1S/C10H6BrF2N3O/c11-8-1-7(17-5-9(12)13)4-16-10(8)6(2-14)3-15-16/h1,3-4,9H,5H2
InChIKeyJUXGANJCIJVIHZ-UHFFFAOYSA-N
MW302.08 g/mol
LogP2.61
Rot. Bonds3

About 4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 156894996) has the molecular formula C10H6BrF2N3O and a molecular weight of 302.08 g/mol. Its IUPAC name is 4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID156894996
Molecular FormulaC10H6BrF2N3O
Molecular Weight302.08 g/mol
Exact Mass300.97
IUPAC Name4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCC(F)F)cc(Br)c12
InChIInChI=1S/C10H6BrF2N3O/c11-8-1-7(17-5-9(12)13)4-16-10(8)6(2-14)3-15-16/h1,3-4,9H,5H2
InChIKeyJUXGANJCIJVIHZ-UHFFFAOYSA-N
XLogP2.61
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.08
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 156894996) is 4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(OCC(F)F)cc(Br)c12.
What is the InChIKey of 4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JUXGANJCIJVIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2N3O/c11-8-1-7(17-5-9(12)13)4-16-10(8)6(2-14)3-15-16/h1,3-4,9H,5H2.
What are the key properties of 4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 302.08 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 156894996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).