5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid

C9H10N4O4 — CID 170826111

IUPAC5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
SMILES[N-]=[N+]=NCC(O)C(O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C9H10N4O4/c10-13-12-4-7(14)8(15)5-1-2-6(9(16)17)11-3-5/h1-3,7-8,14-15H,4H2,(H,16,17)
InChIKeyHIRFILJQLFYWOG-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.48
Rot. Bonds5

About 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid

5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid (PubChem CID 170826111) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
PubChem CID170826111
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
SMILES[N-]=[N+]=NCC(O)C(O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C9H10N4O4/c10-13-12-4-7(14)8(15)5-1-2-6(9(16)17)11-3-5/h1-3,7-8,14-15H,4H2,(H,16,17)
InChIKeyHIRFILJQLFYWOG-UHFFFAOYSA-N
XLogP0.48
TPSA139.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile
CID 170825675
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462
methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-2-carboxylate
CID 171879918
2-[4-(3-azido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170826324
5-(3-azido-1,2-dihydroxypropyl)-2-fluorobenzoic acid
CID 170826281
3-azido-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170826180
1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone
CID 170826144
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
CID 170825484
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513
3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol
CID 170825528
3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol
CID 170825964
5-(4-azido-1,2-dihydroxybutyl)-3-methylpyridine-2-carboxylic acid
CID 171879921

Frequently Asked Questions

What is the IUPAC name of 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid (CID 170826111) is 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid is [N-]=[N+]=NCC(O)C(O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid?
The InChIKey is HIRFILJQLFYWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c10-13-12-4-7(14)8(15)5-1-2-6(9(16)17)11-3-5/h1-3,7-8,14-15H,4H2,(H,16,17).
What are the key properties of 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid?
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid has a molecular weight of 238.20 g/mol, XLogP of 0.48, 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)pyridine-2-carboxylic acid is sourced from PubChem (CID 170826111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).