5-chloro-1H-indole-3-carbonyl azide

C9H5ClN4O — CID 156566059

IUPAC5-chloro-1H-indole-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C9H5ClN4O/c10-5-1-2-8-6(3-5)7(4-12-8)9(15)13-14-11/h1-4,12H
InChIKeyLNAJLSSNIMYOMG-UHFFFAOYSA-N
MW220.62 g/mol
LogP3.27
Rot. Bonds1

About 5-chloro-1H-indole-3-carbonyl azide

5-chloro-1H-indole-3-carbonyl azide (PubChem CID 156566059) has the molecular formula C9H5ClN4O and a molecular weight of 220.62 g/mol. Its IUPAC name is 5-chloro-1H-indole-3-carbonyl azide.

Molecular Properties

Compound Name5-chloro-1H-indole-3-carbonyl azide
PubChem CID156566059
Molecular FormulaC9H5ClN4O
Molecular Weight220.62 g/mol
Exact Mass220.02
IUPAC Name5-chloro-1H-indole-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C9H5ClN4O/c10-5-1-2-8-6(3-5)7(4-12-8)9(15)13-14-11/h1-4,12H
InChIKeyLNAJLSSNIMYOMG-UHFFFAOYSA-N
XLogP3.27
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.62
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

5-(trifluoromethyl)-1H-indole-3-carbonyl azide
CID 169186501
6-fluoro-1H-indole-3-carbonyl azide
CID 150051952
5-chloro-N'-hydroxy-1H-indole-3-carboximidamide
CID 135742381
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108
5-chloro-N-propyl-1H-indole-3-carboxamide
CID 113205770
6-chloro-4-oxo-1H-quinoline-3-carboxamide
CID 601266
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
CID 162765558
CID 162765558
(5-chloro-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101343
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-indole-3-carbonyl azide?
The IUPAC name of 5-chloro-1H-indole-3-carbonyl azide (CID 156566059) is 5-chloro-1H-indole-3-carbonyl azide.
What is the SMILES notation for 5-chloro-1H-indole-3-carbonyl azide?
The canonical SMILES for 5-chloro-1H-indole-3-carbonyl azide is [N-]=[N+]=NC(=O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1H-indole-3-carbonyl azide?
The InChIKey is LNAJLSSNIMYOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4O/c10-5-1-2-8-6(3-5)7(4-12-8)9(15)13-14-11/h1-4,12H.
What are the key properties of 5-chloro-1H-indole-3-carbonyl azide?
5-chloro-1H-indole-3-carbonyl azide has a molecular weight of 220.62 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-indole-3-carbonyl azide is sourced from PubChem (CID 156566059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).