methyl 2-chloro-6-ethenylpyridine-4-carboxylate

C9H8ClNO2 — CID 86081346

IUPACmethyl 2-chloro-6-ethenylpyridine-4-carboxylate
SMILESC=Cc1cc(C(=O)OC)cc(Cl)n1
InChIInChI=1S/C9H8ClNO2/c1-3-7-4-6(9(12)13-2)5-8(10)11-7/h3-5H,1H2,2H3
InChIKeyRTMCATAIEWOEDC-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.16
Rot. Bonds2

About methyl 2-chloro-6-ethenylpyridine-4-carboxylate

methyl 2-chloro-6-ethenylpyridine-4-carboxylate (PubChem CID 86081346) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is methyl 2-chloro-6-ethenylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-ethenylpyridine-4-carboxylate
PubChem CID86081346
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Namemethyl 2-chloro-6-ethenylpyridine-4-carboxylate
SMILESC=Cc1cc(C(=O)OC)cc(Cl)n1
InChIInChI=1S/C9H8ClNO2/c1-3-7-4-6(9(12)13-2)5-8(10)11-7/h3-5H,1H2,2H3
InChIKeyRTMCATAIEWOEDC-UHFFFAOYSA-N
XLogP2.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-chloro-6-ethenylpyridine-4-carboxylate
CID 86657031
methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate
CID 173129747
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
2-[[(2S)-butan-2-yl]amino]-6-(1,3-dioxan-2-yl)pyridine-4-carboxylic acid;methyl 2-chloro-6-ethenylpyridine-4-carboxylate
CID 87790790
tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate
CID 67027096
methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate
CID 176894230
methyl 2-butyl-6-chloropyridine-4-carboxylate
CID 174747407
methyl 2-chloro-6-(4-methoxyphenyl)pyridine-4-carboxylate
CID 91873021
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727
2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine
CID 91551391
ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 144796191

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-ethenylpyridine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-ethenylpyridine-4-carboxylate (CID 86081346) is methyl 2-chloro-6-ethenylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-ethenylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-ethenylpyridine-4-carboxylate is C=Cc1cc(C(=O)OC)cc(Cl)n1.
What is the InChIKey of methyl 2-chloro-6-ethenylpyridine-4-carboxylate?
The InChIKey is RTMCATAIEWOEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-3-7-4-6(9(12)13-2)5-8(10)11-7/h3-5H,1H2,2H3.
What are the key properties of methyl 2-chloro-6-ethenylpyridine-4-carboxylate?
methyl 2-chloro-6-ethenylpyridine-4-carboxylate has a molecular weight of 197.62 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-ethenylpyridine-4-carboxylate is sourced from PubChem (CID 86081346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).