2-azido-1-methylindole-3-carbaldehyde

C10H8N4O — CID 14245995

IUPAC2-azido-1-methylindole-3-carbaldehyde
SMILESCn1c(N=[N+]=[N-])c(C=O)c2ccccc21
InChIInChI=1S/C10H8N4O/c1-14-9-5-3-2-4-7(9)8(6-15)10(14)12-13-11/h2-6H,1H3
InChIKeyWGPZGFYETYFUEN-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.93
Rot. Bonds2

About 2-azido-1-methylindole-3-carbaldehyde

2-azido-1-methylindole-3-carbaldehyde (PubChem CID 14245995) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-azido-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name2-azido-1-methylindole-3-carbaldehyde
PubChem CID14245995
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name2-azido-1-methylindole-3-carbaldehyde
SMILESCn1c(N=[N+]=[N-])c(C=O)c2ccccc21
InChIInChI=1S/C10H8N4O/c1-14-9-5-3-2-4-7(9)8(6-15)10(14)12-13-11/h2-6H,1H3
InChIKeyWGPZGFYETYFUEN-UHFFFAOYSA-N
XLogP2.93
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 2-azido-1-methylindole-3-carbaldehyde?
The IUPAC name of 2-azido-1-methylindole-3-carbaldehyde (CID 14245995) is 2-azido-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 2-azido-1-methylindole-3-carbaldehyde?
The canonical SMILES for 2-azido-1-methylindole-3-carbaldehyde is Cn1c(N=[N+]=[N-])c(C=O)c2ccccc21.
What is the InChIKey of 2-azido-1-methylindole-3-carbaldehyde?
The InChIKey is WGPZGFYETYFUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-14-9-5-3-2-4-7(9)8(6-15)10(14)12-13-11/h2-6H,1H3.
What are the key properties of 2-azido-1-methylindole-3-carbaldehyde?
2-azido-1-methylindole-3-carbaldehyde has a molecular weight of 200.20 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 14245995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).