6-azido-5-bromoquinoline

C9H5BrN4 — CID 152531044

IUPAC6-azido-5-bromoquinoline
SMILES[N-]=[N+]=Nc1ccc2ncccc2c1Br
InChIInChI=1S/C9H5BrN4/c10-9-6-2-1-5-12-7(6)3-4-8(9)13-14-11/h1-5H
InChIKeyYJNUUHYISIZJBW-UHFFFAOYSA-N
MW249.07 g/mol
LogP3.94
Rot. Bonds1

About 6-azido-5-bromoquinoline

6-azido-5-bromoquinoline (PubChem CID 152531044) has the molecular formula C9H5BrN4 and a molecular weight of 249.07 g/mol. Its IUPAC name is 6-azido-5-bromoquinoline.

Molecular Properties

Compound Name6-azido-5-bromoquinoline
PubChem CID152531044
Molecular FormulaC9H5BrN4
Molecular Weight249.07 g/mol
Exact Mass247.97
IUPAC Name6-azido-5-bromoquinoline
SMILES[N-]=[N+]=Nc1ccc2ncccc2c1Br
InChIInChI=1S/C9H5BrN4/c10-9-6-2-1-5-12-7(6)3-4-8(9)13-14-11/h1-5H
InChIKeyYJNUUHYISIZJBW-UHFFFAOYSA-N
XLogP3.94
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 53.94
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

6-azido-5-bromoquinoxaline
CID 130538305
5-bromo-6-ethoxyquinoline
CID 4197454
6-bromoquinoline-5-thiol
CID 136981755
5-bromoquinoline-6-carbonitrile
CID 175111450
5-bromoquinoline;ethane
CID 142484600
2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline
CID 46780531
1-azido-4-methoxynaphthalene
CID 20536800
N-(2-azidoethyl)quinoline-5-carboxamide
CID 55126604
methyl 3-azidopyridine-2-carboxylate
CID 138989271
2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine
CID 169326471
1-bromofuro[3,2-f]quinoline-2-carboxylic acid
CID 175548798
5-bromo-6H-pyrrolo[3,4-b]pyridine
CID 67061254

Frequently Asked Questions

What is the IUPAC name of 6-azido-5-bromoquinoline?
The IUPAC name of 6-azido-5-bromoquinoline (CID 152531044) is 6-azido-5-bromoquinoline.
What is the SMILES notation for 6-azido-5-bromoquinoline?
The canonical SMILES for 6-azido-5-bromoquinoline is [N-]=[N+]=Nc1ccc2ncccc2c1Br.
What is the InChIKey of 6-azido-5-bromoquinoline?
The InChIKey is YJNUUHYISIZJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4/c10-9-6-2-1-5-12-7(6)3-4-8(9)13-14-11/h1-5H.
What are the key properties of 6-azido-5-bromoquinoline?
6-azido-5-bromoquinoline has a molecular weight of 249.07 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-5-bromoquinoline is sourced from PubChem (CID 152531044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).