1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol

C12H16N4O — CID 135272832

IUPAC1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol
SMILES[N-]=[N+]=NCc1cccc(C2(O)CCCCC2)n1
InChIInChI=1S/C12H16N4O/c13-16-14-9-10-5-4-6-11(15-10)12(17)7-2-1-3-8-12/h4-6,17H,1-3,7-9H2
InChIKeyGDDBRFVZWJRQME-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.04
Rot. Bonds3

About 1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol

1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol (PubChem CID 135272832) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol
PubChem CID135272832
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol
SMILES[N-]=[N+]=NCc1cccc(C2(O)CCCCC2)n1
InChIInChI=1S/C12H16N4O/c13-16-14-9-10-5-4-6-11(15-10)12(17)7-2-1-3-8-12/h4-6,17H,1-3,7-9H2
InChIKeyGDDBRFVZWJRQME-UHFFFAOYSA-N
XLogP3.04
TPSA81.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine
CID 135272793
2-(azidomethyl)-6-piperidin-1-ylpyridine
CID 135272856
sodium;2-(azidomethyl)-6-bromopyridine;azide
CID 159150392
methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate
CID 135277822
N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide
CID 15541065
2-(azidomethyl)-6-(3-methylphenyl)pyridine
CID 153457015
3-(azidomethyl)pyridazine
CID 89158171
2-(azidomethyl)-6-(trityloxymethyl)pyridine
CID 86066890
1-(6-methyl-2-pyridinyl)cyclopropan-1-ol
CID 62669143
ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate
CID 135242020
1-[6-[(5-amino-7-chloro-2H-triazolo[4,5-c]pyridin-3-yl)methyl]-2-pyridinyl]cyclobutan-1-ol
CID 66718365
copper;1-phenylcyclohexan-1-ol
CID 174727157

Frequently Asked Questions

What is the IUPAC name of 1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol?
The IUPAC name of 1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol (CID 135272832) is 1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol?
The canonical SMILES for 1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol is [N-]=[N+]=NCc1cccc(C2(O)CCCCC2)n1.
What is the InChIKey of 1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol?
The InChIKey is GDDBRFVZWJRQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-16-14-9-10-5-4-6-11(15-10)12(17)7-2-1-3-8-12/h4-6,17H,1-3,7-9H2.
What are the key properties of 1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol?
1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol is sourced from PubChem (CID 135272832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).