3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol

C17H14F2N4O2 — CID 126673569

IUPAC3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol
SMILES[N-]=[N+]=NC1COCC(n2c3ccc(F)cc3c3cc(F)ccc32)C1O
InChIInChI=1S/C17H14F2N4O2/c18-9-1-3-14-11(5-9)12-6-10(19)2-4-15(12)23(14)16-8-25-7-13(17(16)24)21-22-20/h1-6,13,16-17,24H,7-8H2
InChIKeyNVVGBKIIYBFOHK-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.68
Rot. Bonds2

About 3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol

3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol (PubChem CID 126673569) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol.

Molecular Properties

Compound Name3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol
PubChem CID126673569
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol
SMILES[N-]=[N+]=NC1COCC(n2c3ccc(F)cc3c3cc(F)ccc32)C1O
InChIInChI=1S/C17H14F2N4O2/c18-9-1-3-14-11(5-9)12-6-10(19)2-4-15(12)23(14)16-8-25-7-13(17(16)24)21-22-20/h1-6,13,16-17,24H,7-8H2
InChIKeyNVVGBKIIYBFOHK-UHFFFAOYSA-N
XLogP3.68
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol?
The IUPAC name of 3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol (CID 126673569) is 3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol.
What is the SMILES notation for 3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol?
The canonical SMILES for 3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol is [N-]=[N+]=NC1COCC(n2c3ccc(F)cc3c3cc(F)ccc32)C1O.
What is the InChIKey of 3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol?
The InChIKey is NVVGBKIIYBFOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c18-9-1-3-14-11(5-9)12-6-10(19)2-4-15(12)23(14)16-8-25-7-13(17(16)24)21-22-20/h1-6,13,16-17,24H,7-8H2.
What are the key properties of 3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol?
3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol has a molecular weight of 344.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5-(3,6-difluorocarbazol-9-yl)oxan-4-ol is sourced from PubChem (CID 126673569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).