5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde

C10H8FN3O2 — CID 169461964

IUPAC5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde
SMILES[N-]=[N+]=NCC=Cc1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C10H8FN3O2/c11-9-5-7(2-1-3-13-14-12)4-8(6-15)10(9)16/h1-2,4-6,16H,3H2
InChIKeyYMAXAPYFXLOMEN-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.67
Rot. Bonds4

About 5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde

5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde (PubChem CID 169461964) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde
PubChem CID169461964
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde
SMILES[N-]=[N+]=NCC=Cc1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C10H8FN3O2/c11-9-5-7(2-1-3-13-14-12)4-8(6-15)10(9)16/h1-2,4-6,16H,3H2
InChIKeyYMAXAPYFXLOMEN-UHFFFAOYSA-N
XLogP2.67
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.67
H-Bond Donors ≤ 51
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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Related Compounds

4-(3-azidoprop-1-enyl)-2,6-dibromophenol
CID 169462874
4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde
CID 170485168
3-(3-azidoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde
CID 169462541
4-(3-azidoprop-1-enyl)-2,3-difluorophenol
CID 169461687
2-[5-(3-azidoprop-1-enyl)-2-fluorophenyl]acetonitrile
CID 169462095
2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
3-(3-azidoprop-1-enyl)-4-fluoroaniline
CID 169461451
3-[4-(3-azidoprop-1-enyl)-2-fluorophenyl]propanoic acid
CID 169462522
6-(3-azidoprop-1-enyl)-1,3-benzodioxole-5-carbaldehyde
CID 169462417
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
4-(4-azidobut-1-enyl)-2-hydroxybenzaldehyde
CID 170485123

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde?
The IUPAC name of 5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde (CID 169461964) is 5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde is [N-]=[N+]=NCC=Cc1cc(F)c(O)c(C=O)c1.
What is the InChIKey of 5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde?
The InChIKey is YMAXAPYFXLOMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-9-5-7(2-1-3-13-14-12)4-8(6-15)10(9)16/h1-2,4-6,16H,3H2.
What are the key properties of 5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde?
5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde has a molecular weight of 221.19 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 169461964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).