1-(dibromomethyl)pyrazolo[4,5-c]pyridine

C7H5Br2N3 — CID 175797957

IUPAC1-(dibromomethyl)pyrazolo[4,5-c]pyridine
SMILESBrC(Br)n1ncc2cnccc21
InChIInChI=1S/C7H5Br2N3/c8-7(9)12-6-1-2-10-3-5(6)4-11-12/h1-4,7H
InChIKeyOBYSOQKZFYXABE-UHFFFAOYSA-N
MW290.95 g/mol
LogP2.68
Rot. Bonds1

About 1-(dibromomethyl)pyrazolo[4,5-c]pyridine

1-(dibromomethyl)pyrazolo[4,5-c]pyridine (PubChem CID 175797957) has the molecular formula C7H5Br2N3 and a molecular weight of 290.95 g/mol. Its IUPAC name is 1-(dibromomethyl)pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(dibromomethyl)pyrazolo[4,5-c]pyridine
PubChem CID175797957
Molecular FormulaC7H5Br2N3
Molecular Weight290.95 g/mol
Exact Mass288.89
IUPAC Name1-(dibromomethyl)pyrazolo[4,5-c]pyridine
SMILESBrC(Br)n1ncc2cnccc21
InChIInChI=1S/C7H5Br2N3/c8-7(9)12-6-1-2-10-3-5(6)4-11-12/h1-4,7H
InChIKeyOBYSOQKZFYXABE-UHFFFAOYSA-N
XLogP2.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.95
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dibromomethyl)pyrazolo[4,5-c]pyridine?
The IUPAC name of 1-(dibromomethyl)pyrazolo[4,5-c]pyridine (CID 175797957) is 1-(dibromomethyl)pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(dibromomethyl)pyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-(dibromomethyl)pyrazolo[4,5-c]pyridine is BrC(Br)n1ncc2cnccc21.
What is the InChIKey of 1-(dibromomethyl)pyrazolo[4,5-c]pyridine?
The InChIKey is OBYSOQKZFYXABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2N3/c8-7(9)12-6-1-2-10-3-5(6)4-11-12/h1-4,7H.
What are the key properties of 1-(dibromomethyl)pyrazolo[4,5-c]pyridine?
1-(dibromomethyl)pyrazolo[4,5-c]pyridine has a molecular weight of 290.95 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibromomethyl)pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 175797957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).