methyl 2-chloro-6-methylpyridine-4-carboxylate

C8H8ClNO2 — CID 2759833

IUPACmethyl 2-chloro-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C8H8ClNO2/c1-5-3-6(8(11)12-2)4-7(9)10-5/h3-4H,1-2H3
InChIKeyBDWMGYZSQKGUFA-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.83
Rot. Bonds1

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

methyl 2-chloro-6-methylpyridine-4-carboxylate (PubChem CID 2759833) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is methyl 2-chloro-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-methylpyridine-4-carboxylate
PubChem CID2759833
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Namemethyl 2-chloro-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C8H8ClNO2/c1-5-3-6(8(11)12-2)4-7(9)10-5/h3-4H,1-2H3
InChIKeyBDWMGYZSQKGUFA-UHFFFAOYSA-N
XLogP1.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.83
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

ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
2-chloro-6-methylpyridine-4-carboxamide
CID 59534429
methyl 2-chloro-6-ethenylpyridine-4-carboxylate
CID 86081346
methyl 2-(methoxymethyl)-6-methylpyridine-4-carboxylate
CID 118905736
methyl 2-(hydroxymethyl)-6-methylpyridine-4-carboxylate;hydrate
CID 141487204
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate
CID 176894230
methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate
CID 67469548
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-methylpyridine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-methylpyridine-4-carboxylate (CID 2759833) is methyl 2-chloro-6-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-methylpyridine-4-carboxylate is COC(=O)c1cc(C)nc(Cl)c1.
What is the InChIKey of methyl 2-chloro-6-methylpyridine-4-carboxylate?
The InChIKey is BDWMGYZSQKGUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-5-3-6(8(11)12-2)4-7(9)10-5/h3-4H,1-2H3.
What are the key properties of methyl 2-chloro-6-methylpyridine-4-carboxylate?
methyl 2-chloro-6-methylpyridine-4-carboxylate has a molecular weight of 185.61 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 2759833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).