6-bromo-2H-triazolo[4,5-c]pyridine

C5H3BrN4 — CID 154029170

IUPAC6-bromo-2H-triazolo[4,5-c]pyridine
SMILESBrc1cc2n[nH]nc2cn1
InChIInChI=1S/C5H3BrN4/c6-5-1-3-4(2-7-5)9-10-8-3/h1-2H,(H,8,9,10)
InChIKeyCSBAHFZRHQNHSU-UHFFFAOYSA-N
MW199.01 g/mol
LogP1.12
Rot. Bonds

About 6-bromo-2H-triazolo[4,5-c]pyridine

6-bromo-2H-triazolo[4,5-c]pyridine (PubChem CID 154029170) has the molecular formula C5H3BrN4 and a molecular weight of 199.01 g/mol. Its IUPAC name is 6-bromo-2H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-bromo-2H-triazolo[4,5-c]pyridine
PubChem CID154029170
Molecular FormulaC5H3BrN4
Molecular Weight199.01 g/mol
Exact Mass197.95
IUPAC Name6-bromo-2H-triazolo[4,5-c]pyridine
SMILESBrc1cc2n[nH]nc2cn1
InChIInChI=1S/C5H3BrN4/c6-5-1-3-4(2-7-5)9-10-8-3/h1-2H,(H,8,9,10)
InChIKeyCSBAHFZRHQNHSU-UHFFFAOYSA-N
XLogP1.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 150132733
6-methyl-2H-benzotriazol-5-amine
CID 55291516
6-bromopyridine-3,4-diamine
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4-bromo-2H-triazolo[4,5-c]pyridine
CID 83681327
6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine
CID 162381410
6-bromo-1-methyltriazolo[4,5-c]pyridine
CID 170626731
2,4-dibromo-5-methylpyridine
CID 12643719
5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen
CID 145283834
5,6-di(propan-2-yl)-2H-benzotriazole
CID 118098380
CID 87301097
CID 87301097
5-(aminomethyl)-2-bromopyridin-4-amine
CID 130115993

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2H-triazolo[4,5-c]pyridine?
The IUPAC name of 6-bromo-2H-triazolo[4,5-c]pyridine (CID 154029170) is 6-bromo-2H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 6-bromo-2H-triazolo[4,5-c]pyridine?
The canonical SMILES for 6-bromo-2H-triazolo[4,5-c]pyridine is Brc1cc2n[nH]nc2cn1.
What is the InChIKey of 6-bromo-2H-triazolo[4,5-c]pyridine?
The InChIKey is CSBAHFZRHQNHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4/c6-5-1-3-4(2-7-5)9-10-8-3/h1-2H,(H,8,9,10).
What are the key properties of 6-bromo-2H-triazolo[4,5-c]pyridine?
6-bromo-2H-triazolo[4,5-c]pyridine has a molecular weight of 199.01 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 154029170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).