methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate

C11H14N4O4 — CID 171879917

IUPACmethyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C(O)C(O)CCN=[N+]=[N-])c1
InChIInChI=1S/C11H14N4O4/c1-19-11(18)8-4-7(5-13-6-8)10(17)9(16)2-3-14-15-12/h4-6,9-10,16-17H,2-3H2,1H3
InChIKeySDMJFPDWOIKFCN-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.96
Rot. Bonds6

About methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate

methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate (PubChem CID 171879917) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate
PubChem CID171879917
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Namemethyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C(O)C(O)CCN=[N+]=[N-])c1
InChIInChI=1S/C11H14N4O4/c1-19-11(18)8-4-7(5-13-6-8)10(17)9(16)2-3-14-15-12/h4-6,9-10,16-17H,2-3H2,1H3
InChIKeySDMJFPDWOIKFCN-UHFFFAOYSA-N
XLogP0.96
TPSA128.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
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'}

Analyze methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-azido-1,2-dihydroxybutyl)-3-pyridinyl]ethanone
CID 171879579
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858393
4-azido-1-(5-hydroxy-3-pyridinyl)butane-1,2-diol
CID 171878967
methyl 5-(3-acetylsulfanyl-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170822386
methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-2-carboxylate
CID 171879918
4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol
CID 171880522
methyl 2-(4-azido-1,2-dihydroxybutyl)pyridine-4-carboxylate
CID 171879927
methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170830510
methyl 2-(4-azido-1,2-dihydroxybutyl)-1,3-thiazole-5-carboxylate
CID 171879551
methyl 6-(4-azido-1,2-dihydroxybutyl)-1H-indazole-4-carboxylate
CID 171880442
5-(4-azido-1,2-dihydroxybutyl)-3-methylpyridine-2-carboxylic acid
CID 171879921
3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol
CID 170825798

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate (CID 171879917) is methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate is COC(=O)c1cncc(C(O)C(O)CCN=[N+]=[N-])c1.
What is the InChIKey of methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate?
The InChIKey is SDMJFPDWOIKFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-19-11(18)8-4-7(5-13-6-8)10(17)9(16)2-3-14-15-12/h4-6,9-10,16-17H,2-3H2,1H3.
What are the key properties of methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate?
methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate has a molecular weight of 266.26 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate is sourced from PubChem (CID 171879917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).