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

C15H10BrFN4O2 — CID 169267527

IUPAC6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(Br)cc(OCC(O)c3ccc(F)cn3)c12
InChIInChI=1S/C15H10BrFN4O2/c16-10-3-14(15-9(4-18)5-20-21(15)7-10)23-8-13(22)12-2-1-11(17)6-19-12/h1-3,5-7,13,22H,8H2
InChIKeyIOHPPIZODVHZPB-UHFFFAOYSA-N
MW377.17 g/mol
LogP2.61
Rot. Bonds4

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

6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 169267527) has the molecular formula C15H10BrFN4O2 and a molecular weight of 377.17 g/mol. Its IUPAC name is 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID169267527
Molecular FormulaC15H10BrFN4O2
Molecular Weight377.17 g/mol
Exact Mass376.00
IUPAC Name6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(Br)cc(OCC(O)c3ccc(F)cn3)c12
InChIInChI=1S/C15H10BrFN4O2/c16-10-3-14(15-9(4-18)5-20-21(15)7-10)23-8-13(22)12-2-1-11(17)6-19-12/h1-3,5-7,13,22H,8H2
InChIKeyIOHPPIZODVHZPB-UHFFFAOYSA-N
XLogP2.61
TPSA83.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.17
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 169267527) is 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(Br)cc(OCC(O)c3ccc(F)cn3)c12.
What is the InChIKey of 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is IOHPPIZODVHZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN4O2/c16-10-3-14(15-9(4-18)5-20-21(15)7-10)23-8-13(22)12-2-1-11(17)6-19-12/h1-3,5-7,13,22H,8H2.
What are the key properties of 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 377.17 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 169267527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).