methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate

C10H12N4O2 — CID 135277822

IUPACmethyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate
SMILESCOC(=O)CCc1cccc(CN=[N+]=[N-])n1
InChIInChI=1S/C10H12N4O2/c1-16-10(15)6-5-8-3-2-4-9(13-8)7-12-14-11/h2-4H,5-7H2,1H3
InChIKeyQMIIHXWUBHBLSD-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.00
Rot. Bonds5

About methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate

methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate (PubChem CID 135277822) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate
PubChem CID135277822
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Namemethyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate
SMILESCOC(=O)CCc1cccc(CN=[N+]=[N-])n1
InChIInChI=1S/C10H12N4O2/c1-16-10(15)6-5-8-3-2-4-9(13-8)7-12-14-11/h2-4H,5-7H2,1H3
InChIKeyQMIIHXWUBHBLSD-UHFFFAOYSA-N
XLogP2.00
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.00
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

methyl 3-(8-chloroquinolin-2-yl)propanoate
CID 82244790
methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate
CID 54271522
methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
CID 606437
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
CID 22717208
ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate
CID 135242020
1-[6-(azidomethyl)-2-pyridinyl]cyclohexan-1-ol
CID 135272832
2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine
CID 135272793
methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate
CID 82248195
methyl 3-(6,7-difluoroquinolin-2-yl)propanoate
CID 82244958
methyl 3-(2-amino-3-ethylphenyl)propanoate
CID 138486943
ethane;methyl 3-(3-ethyl-2-methylphenyl)propanoate
CID 144828792
methyl 3-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]propanoate
CID 107039611

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate?
The IUPAC name of methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate (CID 135277822) is methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate.
What is the SMILES notation for methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate?
The canonical SMILES for methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate is COC(=O)CCc1cccc(CN=[N+]=[N-])n1.
What is the InChIKey of methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate?
The InChIKey is QMIIHXWUBHBLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-16-10(15)6-5-8-3-2-4-9(13-8)7-12-14-11/h2-4H,5-7H2,1H3.
What are the key properties of methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate?
methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate has a molecular weight of 220.23 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate is sourced from PubChem (CID 135277822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).