5-(trifluoromethyl)-1H-indole-3-carbonyl azide

C10H5F3N4O — CID 169186501

IUPAC5-(trifluoromethyl)-1H-indole-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)5-1-2-8-6(3-5)7(4-15-8)9(18)16-17-14/h1-4,15H
InChIKeyHKXVYMZZZCWBPD-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.64
Rot. Bonds1

About 5-(trifluoromethyl)-1H-indole-3-carbonyl azide

5-(trifluoromethyl)-1H-indole-3-carbonyl azide (PubChem CID 169186501) has the molecular formula C10H5F3N4O and a molecular weight of 254.17 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-indole-3-carbonyl azide.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-indole-3-carbonyl azide
PubChem CID169186501
Molecular FormulaC10H5F3N4O
Molecular Weight254.17 g/mol
Exact Mass254.04
IUPAC Name5-(trifluoromethyl)-1H-indole-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)5-1-2-8-6(3-5)7(4-15-8)9(18)16-17-14/h1-4,15H
InChIKeyHKXVYMZZZCWBPD-UHFFFAOYSA-N
XLogP3.64
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.64
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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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-indole-3-carbonyl azide?
The IUPAC name of 5-(trifluoromethyl)-1H-indole-3-carbonyl azide (CID 169186501) is 5-(trifluoromethyl)-1H-indole-3-carbonyl azide.
What is the SMILES notation for 5-(trifluoromethyl)-1H-indole-3-carbonyl azide?
The canonical SMILES for 5-(trifluoromethyl)-1H-indole-3-carbonyl azide is [N-]=[N+]=NC(=O)c1c[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 5-(trifluoromethyl)-1H-indole-3-carbonyl azide?
The InChIKey is HKXVYMZZZCWBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4O/c11-10(12,13)5-1-2-8-6(3-5)7(4-15-8)9(18)16-17-14/h1-4,15H.
What are the key properties of 5-(trifluoromethyl)-1H-indole-3-carbonyl azide?
5-(trifluoromethyl)-1H-indole-3-carbonyl azide has a molecular weight of 254.17 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-indole-3-carbonyl azide is sourced from PubChem (CID 169186501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).