3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine

C10H16N4 — CID 56632817

IUPAC3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine
SMILESCC1=CN(CC(C)C)CC(N=[N+]=[N-])=C1
InChIInChI=1S/C10H16N4/c1-8(2)5-14-6-9(3)4-10(7-14)12-13-11/h4,6,8H,5,7H2,1-3H3
InChIKeyYRTNNBROIGJJIY-UHFFFAOYSA-N
MW192.27 g/mol
LogP3.06
Rot. Bonds3

About 3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine

3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine (PubChem CID 56632817) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine.

Molecular Properties

Compound Name3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine
PubChem CID56632817
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine
SMILESCC1=CN(CC(C)C)CC(N=[N+]=[N-])=C1
InChIInChI=1S/C10H16N4/c1-8(2)5-14-6-9(3)4-10(7-14)12-13-11/h4,6,8H,5,7H2,1-3H3
InChIKeyYRTNNBROIGJJIY-UHFFFAOYSA-N
XLogP3.06
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of 3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine?
The IUPAC name of 3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine (CID 56632817) is 3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine.
What is the SMILES notation for 3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine?
The canonical SMILES for 3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine is CC1=CN(CC(C)C)CC(N=[N+]=[N-])=C1.
What is the InChIKey of 3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine?
The InChIKey is YRTNNBROIGJJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-8(2)5-14-6-9(3)4-10(7-14)12-13-11/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine?
3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine has a molecular weight of 192.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5-methyl-1-(2-methylpropyl)-2H-pyridine is sourced from PubChem (CID 56632817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).