2-(2-azido-2-methylpropyl)pyridine

C9H12N4 — CID 151920742

IUPAC2-(2-azido-2-methylpropyl)pyridine
SMILESCC(C)(Cc1ccccn1)N=[N+]=[N-]
InChIInChI=1S/C9H12N4/c1-9(2,12-13-10)7-8-5-3-4-6-11-8/h3-6H,7H2,1-2H3
InChIKeySWSHLLMGPHMPDT-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.71
Rot. Bonds3

About 2-(2-azido-2-methylpropyl)pyridine

2-(2-azido-2-methylpropyl)pyridine (PubChem CID 151920742) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(2-azido-2-methylpropyl)pyridine.

Molecular Properties

Compound Name2-(2-azido-2-methylpropyl)pyridine
PubChem CID151920742
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-(2-azido-2-methylpropyl)pyridine
SMILESCC(C)(Cc1ccccn1)N=[N+]=[N-]
InChIInChI=1S/C9H12N4/c1-9(2,12-13-10)7-8-5-3-4-6-11-8/h3-6H,7H2,1-2H3
InChIKeySWSHLLMGPHMPDT-UHFFFAOYSA-N
XLogP2.71
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
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(3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol
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N-(3-azidopropyl)-2-pyridin-2-ylacetamide
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(2-methyl-1-pyridin-2-ylpropan-2-yl) 3-oxobutanoate
CID 174998707
2,2-dimethyl-1-pyridin-2-yloctan-3-one
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2,2-bis(pyridin-2-ylmethyl)pentanoic acid
CID 67287771
2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide
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2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid
CID 19084753

Frequently Asked Questions

What is the IUPAC name of 2-(2-azido-2-methylpropyl)pyridine?
The IUPAC name of 2-(2-azido-2-methylpropyl)pyridine (CID 151920742) is 2-(2-azido-2-methylpropyl)pyridine.
What is the SMILES notation for 2-(2-azido-2-methylpropyl)pyridine?
The canonical SMILES for 2-(2-azido-2-methylpropyl)pyridine is CC(C)(Cc1ccccn1)N=[N+]=[N-].
What is the InChIKey of 2-(2-azido-2-methylpropyl)pyridine?
The InChIKey is SWSHLLMGPHMPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-9(2,12-13-10)7-8-5-3-4-6-11-8/h3-6H,7H2,1-2H3.
What are the key properties of 2-(2-azido-2-methylpropyl)pyridine?
2-(2-azido-2-methylpropyl)pyridine has a molecular weight of 176.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azido-2-methylpropyl)pyridine is sourced from PubChem (CID 151920742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).