[(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate

C10H12N4O2 — CID 86600247

IUPAC[(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate
SMILESCC(=O)O[C@H](CN=[N+]=[N-])c1cccc(C)n1
InChIInChI=1S/C10H12N4O2/c1-7-4-3-5-9(13-7)10(6-12-14-11)16-8(2)15/h3-5,10H,6H2,1-2H3/t10-/m1/s1
InChIKeySBBWSSXEYKRLOI-SNVBAGLBSA-N
MW220.23 g/mol
LogP2.30
Rot. Bonds4

About [(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate

[(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate (PubChem CID 86600247) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is [(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate.

Molecular Properties

Compound Name[(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate
PubChem CID86600247
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name[(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate
SMILESCC(=O)O[C@H](CN=[N+]=[N-])c1cccc(C)n1
InChIInChI=1S/C10H12N4O2/c1-7-4-3-5-9(13-7)10(6-12-14-11)16-8(2)15/h3-5,10H,6H2,1-2H3/t10-/m1/s1
InChIKeySBBWSSXEYKRLOI-SNVBAGLBSA-N
XLogP2.30
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
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

[(1S)-2-azido-1-(4-nitrophenyl)ethyl] acetate
CID 71524516
[(2R)-1-azido-3-phenylsulfanylpropan-2-yl] acetate
CID 102211334
ethyl 2-amino-2-(6-methyl-2-pyridinyl)acetate
CID 3937325
1-(6-bromo-2-pyridinyl)pentyl acetate
CID 87735543
3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol
CID 170825757
2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine
CID 56625968
3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol
CID 170825809
2-(4-azidobut-1-enyl)-6-methylpyridine
CID 170484756
2-[bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine
CID 15421087
ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride
CID 171243263
ethane;N-[1-(6-methyl-2-pyridinyl)ethyl]acetamide
CID 177366227
methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate
CID 135277822

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate?
The IUPAC name of [(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate (CID 86600247) is [(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate.
What is the SMILES notation for [(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate?
The canonical SMILES for [(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate is CC(=O)O[C@H](CN=[N+]=[N-])c1cccc(C)n1.
What is the InChIKey of [(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate?
The InChIKey is SBBWSSXEYKRLOI-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-4-3-5-9(13-7)10(6-12-14-11)16-8(2)15/h3-5,10H,6H2,1-2H3/t10-/m1/s1.
What are the key properties of [(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate?
[(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate has a molecular weight of 220.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-azido-1-(6-methyl-2-pyridinyl)ethyl] acetate is sourced from PubChem (CID 86600247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).