4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine

C6H5BrN4 — CID 58380762

IUPAC4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1n[nH]c2ccnc(Br)c12
InChIInChI=1S/C6H5BrN4/c7-5-4-3(1-2-9-5)10-11-6(4)8/h1-2H,(H3,8,10,11)
InChIKeyOASNHFNYJHFLDY-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.30
Rot. Bonds

About 4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine

4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 58380762) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine
PubChem CID58380762
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1n[nH]c2ccnc(Br)c12
InChIInChI=1S/C6H5BrN4/c7-5-4-3(1-2-9-5)10-11-6(4)8/h1-2H,(H3,8,10,11)
InChIKeyOASNHFNYJHFLDY-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine (CID 58380762) is 4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine is Nc1n[nH]c2ccnc(Br)c12.
What is the InChIKey of 4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is OASNHFNYJHFLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c7-5-4-3(1-2-9-5)10-11-6(4)8/h1-2H,(H3,8,10,11).
What are the key properties of 4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine?
4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 213.04 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 58380762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).