2-azido-1-(9H-carbazol-2-yl)ethanol

C14H12N4O — CID 3878794

IUPAC2-azido-1-(9H-carbazol-2-yl)ethanol
SMILES[N-]=[N+]=NCC(O)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C14H12N4O/c15-18-16-8-14(19)9-5-6-11-10-3-1-2-4-12(10)17-13(11)7-9/h1-7,14,17,19H,8H2
InChIKeyAXGJKSLNSMEISN-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.66
Rot. Bonds3

About 2-azido-1-(9H-carbazol-2-yl)ethanol

2-azido-1-(9H-carbazol-2-yl)ethanol (PubChem CID 3878794) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-azido-1-(9H-carbazol-2-yl)ethanol.

Molecular Properties

Compound Name2-azido-1-(9H-carbazol-2-yl)ethanol
PubChem CID3878794
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-azido-1-(9H-carbazol-2-yl)ethanol
SMILES[N-]=[N+]=NCC(O)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C14H12N4O/c15-18-16-8-14(19)9-5-6-11-10-3-1-2-4-12(10)17-13(11)7-9/h1-7,14,17,19H,8H2
InChIKeyAXGJKSLNSMEISN-UHFFFAOYSA-N
XLogP3.66
TPSA84.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.66
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(9H-carbazol-2-yl)ethanol?
The IUPAC name of 2-azido-1-(9H-carbazol-2-yl)ethanol (CID 3878794) is 2-azido-1-(9H-carbazol-2-yl)ethanol.
What is the SMILES notation for 2-azido-1-(9H-carbazol-2-yl)ethanol?
The canonical SMILES for 2-azido-1-(9H-carbazol-2-yl)ethanol is [N-]=[N+]=NCC(O)c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 2-azido-1-(9H-carbazol-2-yl)ethanol?
The InChIKey is AXGJKSLNSMEISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-18-16-8-14(19)9-5-6-11-10-3-1-2-4-12(10)17-13(11)7-9/h1-7,14,17,19H,8H2.
What are the key properties of 2-azido-1-(9H-carbazol-2-yl)ethanol?
2-azido-1-(9H-carbazol-2-yl)ethanol has a molecular weight of 252.28 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(9H-carbazol-2-yl)ethanol is sourced from PubChem (CID 3878794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).