5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde

C10H10FN3O4 — CID 170826293

IUPAC5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde
SMILES[N-]=[N+]=NCC(O)C(O)c1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C10H10FN3O4/c11-7-2-5(1-6(4-15)9(7)17)10(18)8(16)3-13-14-12/h1-2,4,8,10,16-18H,3H2
InChIKeyRZDGMGOMIDHKSS-UHFFFAOYSA-N
MW255.21 g/mol
LogP1.05
Rot. Bonds5

About 5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde

5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde (PubChem CID 170826293) has the molecular formula C10H10FN3O4 and a molecular weight of 255.21 g/mol. Its IUPAC name is 5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde
PubChem CID170826293
Molecular FormulaC10H10FN3O4
Molecular Weight255.21 g/mol
Exact Mass255.07
IUPAC Name5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde
SMILES[N-]=[N+]=NCC(O)C(O)c1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C10H10FN3O4/c11-7-2-5(1-6(4-15)9(7)17)10(18)8(16)3-13-14-12/h1-2,4,8,10,16-18H,3H2
InChIKeyRZDGMGOMIDHKSS-UHFFFAOYSA-N
XLogP1.05
TPSA126.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde?
The IUPAC name of 5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde (CID 170826293) is 5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde is [N-]=[N+]=NCC(O)C(O)c1cc(F)c(O)c(C=O)c1.
What is the InChIKey of 5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde?
The InChIKey is RZDGMGOMIDHKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O4/c11-7-2-5(1-6(4-15)9(7)17)10(18)8(16)3-13-14-12/h1-2,4,8,10,16-18H,3H2.
What are the key properties of 5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde?
5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde has a molecular weight of 255.21 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 170826293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).