6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid

C10H13N5O4 — CID 171879842

IUPAC6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
SMILES[N-]=[N+]=NCCC(O)C(O)c1cc(C(=O)O)cnc1N
InChIInChI=1S/C10H13N5O4/c11-9-6(3-5(4-13-9)10(18)19)8(17)7(16)1-2-14-15-12/h3-4,7-8,16-17H,1-2H2,(H2,11,13)(H,18,19)
InChIKeyBHOCMHBPRQWQSK-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.46
Rot. Bonds6

About 6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid

6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid (PubChem CID 171879842) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is 6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
PubChem CID171879842
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
SMILES[N-]=[N+]=NCCC(O)C(O)c1cc(C(=O)O)cnc1N
InChIInChI=1S/C10H13N5O4/c11-9-6(3-5(4-13-9)10(18)19)8(17)7(16)1-2-14-15-12/h3-4,7-8,16-17H,1-2H2,(H2,11,13)(H,18,19)
InChIKeyBHOCMHBPRQWQSK-UHFFFAOYSA-N
XLogP0.46
TPSA165.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

6-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901343
3-(4-azido-1,2-dihydroxybutyl)-5-methylpyridine-2-carboxylic acid
CID 171879919
6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid
CID 171895967
4-(4-azido-1,2-dihydroxybutyl)-3-methoxybenzoic acid
CID 171880069
1-(6-amino-4-methyl-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171879144
2-amino-3-(4-azido-1,2-dihydroxybutyl)-5-methylbenzoic acid
CID 171880139
1-(2-aminopyrimidin-5-yl)-4-azidobutane-1,2-diol
CID 171878981
2-amino-5-(4-azido-1,2-dihydroxybutyl)benzoic acid
CID 171879916
5-(4-azido-1,2-dihydroxybutyl)-3-methylpyridine-2-carboxylic acid
CID 171879921
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923
methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171881890
4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171878308

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid (CID 171879842) is 6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid is [N-]=[N+]=NCCC(O)C(O)c1cc(C(=O)O)cnc1N.
What is the InChIKey of 6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid?
The InChIKey is BHOCMHBPRQWQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c11-9-6(3-5(4-13-9)10(18)19)8(17)7(16)1-2-14-15-12/h3-4,7-8,16-17H,1-2H2,(H2,11,13)(H,18,19).
What are the key properties of 6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid?
6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 171879842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).