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

C11H10BrN3O2 — CID 134434814

IUPAC4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC[C@H](O)COc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C11H10BrN3O2/c1-7(16)6-17-9-2-10(12)11-8(3-13)4-14-15(11)5-9/h2,4-5,7,16H,6H2,1H3/t7-/m0/s1
InChIKeyPJHZTOOXNYREIJ-ZETCQYMHSA-N
MW296.12 g/mol
LogP1.73
Rot. Bonds3

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

4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434814) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434814
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC[C@H](O)COc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C11H10BrN3O2/c1-7(16)6-17-9-2-10(12)11-8(3-13)4-14-15(11)5-9/h2,4-5,7,16H,6H2,1H3/t7-/m0/s1
InChIKeyPJHZTOOXNYREIJ-ZETCQYMHSA-N
XLogP1.73
TPSA70.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434814) is 4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is C[C@H](O)COc1cc(Br)c2c(C#N)cnn2c1.
What is the InChIKey of 4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is PJHZTOOXNYREIJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-7(16)6-17-9-2-10(12)11-8(3-13)4-14-15(11)5-9/h2,4-5,7,16H,6H2,1H3/t7-/m0/s1.
What are the key properties of 4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 296.12 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).