2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C7H9BrN2 — CID 105453277

IUPAC2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESBrc1cc2n(n1)CCCC2
InChIInChI=1S/C7H9BrN2/c8-7-5-6-3-1-2-4-10(6)9-7/h5H,1-4H2
InChIKeyDYHPPHVXHUUVFP-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.98
Rot. Bonds

About 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 105453277) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID105453277
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESBrc1cc2n(n1)CCCC2
InChIInChI=1S/C7H9BrN2/c8-7-5-6-3-1-2-4-10(6)9-7/h5H,1-4H2
InChIKeyDYHPPHVXHUUVFP-UHFFFAOYSA-N
XLogP1.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H,5H,6H,7H-pyrazolo(1,5-a)pyridine
CID 13785278
3-bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine
CID 72212717
5-bromo-3-cyclopropyl-1-methyl-1H-pyrazole
CID 84669820
2-bromo-4H,5H,6H-pyrrolo[1,2-b]pyrazole
CID 90319196
2-(3-bromo-1-methyl-1H-pyrazol-5-yl)acetonitrile
CID 131432425
5-bromo-3-cyclopropyl-1-ethyl-1H-pyrazole
CID 130115875
3-bromo-1-methyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 165981136
3-Bromo-5-isopropyl-1-methyl-1H-pyrazole
CID 84671210
{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-2-yl}methanamine
CID 53397595
5-Bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
CID 90162109
3-Bromo-4-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 135241520
4-Fluoro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 155055077

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 105453277) is 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is Brc1cc2n(n1)CCCC2.
What is the InChIKey of 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is DYHPPHVXHUUVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c8-7-5-6-3-1-2-4-10(6)9-7/h5H,1-4H2.
What are the key properties of 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 201.07 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 105453277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).