(6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine

C7H7BrN4 — CID 133059794

IUPAC(6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine
SMILESNCc1cc(Br)nc2[nH]ncc12
InChIInChI=1S/C7H7BrN4/c8-6-1-4(2-9)5-3-10-12-7(5)11-6/h1,3H,2,9H2,(H,10,11,12)
InChIKeyBZXDQRNBRPYBNY-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.18
Rot. Bonds1

About (6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine

(6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine (PubChem CID 133059794) has the molecular formula C7H7BrN4 and a molecular weight of 227.06 g/mol. Its IUPAC name is (6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine
PubChem CID133059794
Molecular FormulaC7H7BrN4
Molecular Weight227.06 g/mol
Exact Mass225.99
IUPAC Name(6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine
SMILESNCc1cc(Br)nc2[nH]ncc12
InChIInChI=1S/C7H7BrN4/c8-6-1-4(2-9)5-3-10-12-7(5)11-6/h1,3H,2,9H2,(H,10,11,12)
InChIKeyBZXDQRNBRPYBNY-UHFFFAOYSA-N
XLogP1.18
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.18
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 (6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine?
The IUPAC name of (6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine (CID 133059794) is (6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine.
What is the SMILES notation for (6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine?
The canonical SMILES for (6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine is NCc1cc(Br)nc2[nH]ncc12.
What is the InChIKey of (6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine?
The InChIKey is BZXDQRNBRPYBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4/c8-6-1-4(2-9)5-3-10-12-7(5)11-6/h1,3H,2,9H2,(H,10,11,12).
What are the key properties of (6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine?
(6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine has a molecular weight of 227.06 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine is sourced from PubChem (CID 133059794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).