3-azido-5-bromo-2-methylpyridine

C6H5BrN4 — CID 151087653

IUPAC3-azido-5-bromo-2-methylpyridine
SMILESCc1ncc(Br)cc1N=[N+]=[N-]
InChIInChI=1S/C6H5BrN4/c1-4-6(10-11-8)2-5(7)3-9-4/h2-3H,1H3
InChIKeyMLLIMWSOPSLBNF-UHFFFAOYSA-N
MW213.04 g/mol
LogP3.09
Rot. Bonds1

About 3-azido-5-bromo-2-methylpyridine

3-azido-5-bromo-2-methylpyridine (PubChem CID 151087653) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 3-azido-5-bromo-2-methylpyridine.

Molecular Properties

Compound Name3-azido-5-bromo-2-methylpyridine
PubChem CID151087653
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name3-azido-5-bromo-2-methylpyridine
SMILESCc1ncc(Br)cc1N=[N+]=[N-]
InChIInChI=1S/C6H5BrN4/c1-4-6(10-11-8)2-5(7)3-9-4/h2-3H,1H3
InChIKeyMLLIMWSOPSLBNF-UHFFFAOYSA-N
XLogP3.09
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-5-bromopyrimidine
CID 80583459
N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide
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2-azido-1,4-dibromobenzene
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3-azido-2-bromo-5-fluoropyridine
CID 150973100
1-azido-2,4,5-trimethylbenzene
CID 3025812
1-azido-5-bromo-4-fluoro-2-methylbenzene
CID 107593406
5-bromo-2-methyl-3-[(1E)-penta-1,4-dienyl]pyridine
CID 144914180
1,3-diazido-2-methylbenzene
CID 71379514
2-(5-bromo-2-methyl-3-pyridinyl)acetonitrile
CID 130153910
5-bromo-2,3-dimethylpyridine;methyl formate
CID 177034654
2-azido-5-methylbenzaldehyde
CID 14085174
3-azido-6-methoxy-2-methylpyridine
CID 151655403

Frequently Asked Questions

What is the IUPAC name of 3-azido-5-bromo-2-methylpyridine?
The IUPAC name of 3-azido-5-bromo-2-methylpyridine (CID 151087653) is 3-azido-5-bromo-2-methylpyridine.
What is the SMILES notation for 3-azido-5-bromo-2-methylpyridine?
The canonical SMILES for 3-azido-5-bromo-2-methylpyridine is Cc1ncc(Br)cc1N=[N+]=[N-].
What is the InChIKey of 3-azido-5-bromo-2-methylpyridine?
The InChIKey is MLLIMWSOPSLBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c1-4-6(10-11-8)2-5(7)3-9-4/h2-3H,1H3.
What are the key properties of 3-azido-5-bromo-2-methylpyridine?
3-azido-5-bromo-2-methylpyridine has a molecular weight of 213.04 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5-bromo-2-methylpyridine is sourced from PubChem (CID 151087653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).