3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid

C10H9N3O3 — CID 169462044

IUPAC3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid
SMILES[N-]=[N+]=NCC=Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C10H9N3O3/c11-13-12-5-1-2-7-6-8(10(15)16)3-4-9(7)14/h1-4,6,14H,5H2,(H,15,16)
InChIKeyKAUCOPYNDCNVTE-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.41
Rot. Bonds4

About 3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid

3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid (PubChem CID 169462044) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid
PubChem CID169462044
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid
SMILES[N-]=[N+]=NCC=Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C10H9N3O3/c11-13-12-5-1-2-7-6-8(10(15)16)3-4-9(7)14/h1-4,6,14H,5H2,(H,15,16)
InChIKeyKAUCOPYNDCNVTE-UHFFFAOYSA-N
XLogP2.41
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

4-amino-2-(3-azidoprop-1-enyl)phenol
CID 169461517
methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate
CID 169462797
3-(4-bromobut-1-enyl)-4-hydroxybenzoic acid
CID 170497766
3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid
CID 170800016
4-(3-azidoprop-1-enyl)-2,3-difluorophenol
CID 169461687
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid
CID 169461355
2-(3-azidoprop-1-enyl)-6-chlorobenzoic acid
CID 169461967
3-(3-azidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169461810
5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
CID 169462114
2-[2-(3-azidoprop-1-enyl)-4-methoxyphenyl]acetic acid
CID 169462559

Frequently Asked Questions

What is the IUPAC name of 3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid?
The IUPAC name of 3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid (CID 169462044) is 3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid.
What is the SMILES notation for 3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid?
The canonical SMILES for 3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid is [N-]=[N+]=NCC=Cc1cc(C(=O)O)ccc1O.
What is the InChIKey of 3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid?
The InChIKey is KAUCOPYNDCNVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-13-12-5-1-2-7-6-8(10(15)16)3-4-9(7)14/h1-4,6,14H,5H2,(H,15,16).
What are the key properties of 3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid?
3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid has a molecular weight of 219.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid is sourced from PubChem (CID 169462044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).