6-fluoro-1H-indole-3-carbonyl azide

C9H5FN4O — CID 150051952

IUPAC6-fluoro-1H-indole-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C9H5FN4O/c10-5-1-2-6-7(9(15)13-14-11)4-12-8(6)3-5/h1-4,12H
InChIKeyDLMXGDSURQEESY-UHFFFAOYSA-N
MW204.16 g/mol
LogP2.76
Rot. Bonds1

About 6-fluoro-1H-indole-3-carbonyl azide

6-fluoro-1H-indole-3-carbonyl azide (PubChem CID 150051952) has the molecular formula C9H5FN4O and a molecular weight of 204.16 g/mol. Its IUPAC name is 6-fluoro-1H-indole-3-carbonyl azide.

Molecular Properties

Compound Name6-fluoro-1H-indole-3-carbonyl azide
PubChem CID150051952
Molecular FormulaC9H5FN4O
Molecular Weight204.16 g/mol
Exact Mass204.04
IUPAC Name6-fluoro-1H-indole-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C9H5FN4O/c10-5-1-2-6-7(9(15)13-14-11)4-12-8(6)3-5/h1-4,12H
InChIKeyDLMXGDSURQEESY-UHFFFAOYSA-N
XLogP2.76
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 52.76
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-chloro-1H-indole-3-carbonyl azide
CID 156566059
5-(trifluoromethyl)-1H-indole-3-carbonyl azide
CID 169186501
5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591499
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115
1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 113208548
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84695539

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1H-indole-3-carbonyl azide?
The IUPAC name of 6-fluoro-1H-indole-3-carbonyl azide (CID 150051952) is 6-fluoro-1H-indole-3-carbonyl azide.
What is the SMILES notation for 6-fluoro-1H-indole-3-carbonyl azide?
The canonical SMILES for 6-fluoro-1H-indole-3-carbonyl azide is [N-]=[N+]=NC(=O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1H-indole-3-carbonyl azide?
The InChIKey is DLMXGDSURQEESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN4O/c10-5-1-2-6-7(9(15)13-14-11)4-12-8(6)3-5/h1-4,12H.
What are the key properties of 6-fluoro-1H-indole-3-carbonyl azide?
6-fluoro-1H-indole-3-carbonyl azide has a molecular weight of 204.16 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-indole-3-carbonyl azide is sourced from PubChem (CID 150051952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).