3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol

C10H14N4O2 — CID 170825757

IUPAC3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN=[N+]=[N-])c(C)n1
InChIInChI=1S/C10H14N4O2/c1-6-3-4-8(7(2)13-6)10(16)9(15)5-12-14-11/h3-4,9-10,15-16H,5H2,1-2H3
InChIKeyXBLAIZTWDZYFBB-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.40
Rot. Bonds4

About 3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol

3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol (PubChem CID 170825757) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol
PubChem CID170825757
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN=[N+]=[N-])c(C)n1
InChIInChI=1S/C10H14N4O2/c1-6-3-4-8(7(2)13-6)10(16)9(15)5-12-14-11/h3-4,9-10,15-16H,5H2,1-2H3
InChIKeyXBLAIZTWDZYFBB-UHFFFAOYSA-N
XLogP1.40
TPSA102.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.40
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-(6-fluoro-2-methyl-3-pyridinyl)propane-1,2-diol
CID 170825728
3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol
CID 170825809
3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
CID 170826793
3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
CID 170826749
S-[4-(2,6-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875619
1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol
CID 170825677
bis(2,6-dimethyl-3-pyridinyl)methanol
CID 141423650
3-azido-1-(2-chloro-4-fluoro-3-methylphenyl)propane-1,2-diol
CID 170825868
1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-ol
CID 105133610
1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol
CID 105114692
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513
1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol
CID 170825697

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol (CID 170825757) is 3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol is Cc1ccc(C(O)C(O)CN=[N+]=[N-])c(C)n1.
What is the InChIKey of 3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol?
The InChIKey is XBLAIZTWDZYFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-3-4-8(7(2)13-6)10(16)9(15)5-12-14-11/h3-4,9-10,15-16H,5H2,1-2H3.
What are the key properties of 3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol?
3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol has a molecular weight of 222.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170825757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).