methyl 2,6-dichloro-5-methylpyridine-3-carboxylate

C8H7Cl2NO2 — CID 14364375

IUPACmethyl 2,6-dichloro-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(Cl)nc1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-4-3-5(8(12)13-2)7(10)11-6(4)9/h3H,1-2H3
InChIKeyFFEOADOZNOOZBJ-UHFFFAOYSA-N
MW220.05 g/mol
LogP2.48
Rot. Bonds1

About methyl 2,6-dichloro-5-methylpyridine-3-carboxylate

methyl 2,6-dichloro-5-methylpyridine-3-carboxylate (PubChem CID 14364375) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.05 g/mol. Its IUPAC name is methyl 2,6-dichloro-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-dichloro-5-methylpyridine-3-carboxylate
PubChem CID14364375
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.05 g/mol
Exact Mass218.99
IUPAC Namemethyl 2,6-dichloro-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(Cl)nc1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-4-3-5(8(12)13-2)7(10)11-6(4)9/h3H,1-2H3
InChIKeyFFEOADOZNOOZBJ-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 52.48
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

methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169249189
methyl 6-chloro-5-methyl-2-prop-2-enylpyridine-3-carboxylate
CID 135150551
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130074421
methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate
CID 59585041
methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 119054849
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 76849978
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate
CID 119054850
6-chloro-5-methoxycarbonylpyridine-3-sulfinic acid
CID 165449291
2-chloro-5-methylpyridine-3-carboxylic acid;methyl 2-chloro-5-methylpyridine-3-carboxylate
CID 159563322

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dichloro-5-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2,6-dichloro-5-methylpyridine-3-carboxylate (CID 14364375) is methyl 2,6-dichloro-5-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2,6-dichloro-5-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2,6-dichloro-5-methylpyridine-3-carboxylate is COC(=O)c1cc(C)c(Cl)nc1Cl.
What is the InChIKey of methyl 2,6-dichloro-5-methylpyridine-3-carboxylate?
The InChIKey is FFEOADOZNOOZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-4-3-5(8(12)13-2)7(10)11-6(4)9/h3H,1-2H3.
What are the key properties of methyl 2,6-dichloro-5-methylpyridine-3-carboxylate?
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate has a molecular weight of 220.05 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dichloro-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 14364375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).