methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate

C10H12ClNO2 — CID 15228412

IUPACmethyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(Cl)nc1C
InChIInChI=1S/C10H12ClNO2/c1-4-7-5-8(10(13)14-3)9(11)12-6(7)2/h5H,4H2,1-3H3
InChIKeySIJWXMHTRJDOIQ-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.39
Rot. Bonds2

About methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate

methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate (PubChem CID 15228412) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
PubChem CID15228412
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Namemethyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(Cl)nc1C
InChIInChI=1S/C10H12ClNO2/c1-4-7-5-8(10(13)14-3)9(11)12-6(7)2/h5H,4H2,1-3H3
InChIKeySIJWXMHTRJDOIQ-UHFFFAOYSA-N
XLogP2.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.39
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 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130074421
methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169249189
methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate
CID 119054850
methyl 4-bromo-2-chloro-5-ethylbenzoate
CID 130064473
methyl 2-chloro-7-ethoxyquinoline-3-carboxylate
CID 119054864
methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 119054849
methyl 5-chloro-4-cyano-2-ethylbenzoate
CID 134613450
methyl 6-(bromomethyl)-2-chloropyridine-3-carboxylate
CID 21083280
methyl 2-chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071371
methyl 6-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134662437
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate (CID 15228412) is methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate is CCc1cc(C(=O)OC)c(Cl)nc1C.
What is the InChIKey of methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate?
The InChIKey is SIJWXMHTRJDOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-4-7-5-8(10(13)14-3)9(11)12-6(7)2/h5H,4H2,1-3H3.
What are the key properties of methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate?
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate has a molecular weight of 213.66 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 15228412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).