4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol

C10H14N4O2 — CID 171878958

IUPAC4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol
SMILESCc1cc(C(O)C(O)CCN=[N+]=[N-])ccn1
InChIInChI=1S/C10H14N4O2/c1-7-6-8(2-4-12-7)10(16)9(15)3-5-13-14-11/h2,4,6,9-10,15-16H,3,5H2,1H3
InChIKeyMECFQCQJQIOCBT-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.48
Rot. Bonds5

About 4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol

4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol (PubChem CID 171878958) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol
PubChem CID171878958
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol
SMILESCc1cc(C(O)C(O)CCN=[N+]=[N-])ccn1
InChIInChI=1S/C10H14N4O2/c1-7-6-8(2-4-12-7)10(16)9(15)3-5-13-14-11/h2,4,6,9-10,15-16H,3,5H2,1H3
InChIKeyMECFQCQJQIOCBT-UHFFFAOYSA-N
XLogP1.48
TPSA102.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol
CID 171878924
3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol
CID 170827559
4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol
CID 171879244
4-azido-1-(4-sulfanylphenyl)butane-1,2-diol
CID 171878886
4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol
CID 171879183
4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880561
1-(2-aminopyrimidin-5-yl)-4-azidobutane-1,2-diol
CID 171878981
4-azido-1-(2-fluoropyrimidin-5-yl)butane-1,2-diol
CID 171878905
4-azido-1-(2-chloropyrimidin-5-yl)butane-1,2-diol
CID 171878904
4-azido-1-(4-chloro-3-hydroxyphenyl)butane-1,2-diol
CID 171879070
4-azido-1-(3-bromophenyl)butane-1,2-diol
CID 171880515
methyl 2-(4-azido-1,2-dihydroxybutyl)pyridine-4-carboxylate
CID 171879927

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol (CID 171878958) is 4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol is Cc1cc(C(O)C(O)CCN=[N+]=[N-])ccn1.
What is the InChIKey of 4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol?
The InChIKey is MECFQCQJQIOCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7-6-8(2-4-12-7)10(16)9(15)3-5-13-14-11/h2,4,6,9-10,15-16H,3,5H2,1H3.
What are the key properties of 4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol?
4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol has a molecular weight of 222.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171878958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).