3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol

C9H12N4O2 — CID 170825513

IUPAC3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN=[N+]=[N-])nc1
InChIInChI=1S/C9H12N4O2/c1-6-2-3-7(11-4-6)9(15)8(14)5-12-13-10/h2-4,8-9,14-15H,5H2,1H3
InChIKeyKMQOSYCBVLCTTD-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.09
Rot. Bonds4

About 3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol

3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol (PubChem CID 170825513) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
PubChem CID170825513
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN=[N+]=[N-])nc1
InChIInChI=1S/C9H12N4O2/c1-6-2-3-7(11-4-6)9(15)8(14)5-12-13-10/h2-4,8-9,14-15H,5H2,1H3
InChIKeyKMQOSYCBVLCTTD-UHFFFAOYSA-N
XLogP1.09
TPSA102.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.09
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

3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol
CID 170825528
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
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923
3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile
CID 171900457
4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171878971
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462
1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol
CID 170825677
1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
CID 170826111
3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol
CID 170825757
3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
CID 170826749

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol (CID 170825513) is 3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol is Cc1ccc(C(O)C(O)CN=[N+]=[N-])nc1.
What is the InChIKey of 3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol?
The InChIKey is KMQOSYCBVLCTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6-2-3-7(11-4-6)9(15)8(14)5-12-13-10/h2-4,8-9,14-15H,5H2,1H3.
What are the key properties of 3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol?
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol has a molecular weight of 208.22 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170825513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).