methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate

C9H8ClF2NO2 — CID 130074421

IUPACmethyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(F)F)c(C)nc1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-4-5(8(11)12)3-6(7(10)13-4)9(14)15-2/h3,8H,1-2H3
InChIKeyHOCAEEYMTGGODJ-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.77
Rot. Bonds2

About methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate

methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate (PubChem CID 130074421) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
PubChem CID130074421
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Namemethyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(F)F)c(C)nc1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-4-5(8(11)12)3-6(7(10)13-4)9(14)15-2/h3,8H,1-2H3
InChIKeyHOCAEEYMTGGODJ-UHFFFAOYSA-N
XLogP2.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 52.77
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

2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 119018698
methyl 2-chloro-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134678273
methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130090555
methyl 6-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134662437
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 133098700
methyl 2-cyano-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 133107579
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134669578
methyl 3-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 130090578
methyl 2-chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071371
methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130099415

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate (CID 130074421) is methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate is COC(=O)c1cc(C(F)F)c(C)nc1Cl.
What is the InChIKey of methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The InChIKey is HOCAEEYMTGGODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-4-5(8(11)12)3-6(7(10)13-4)9(14)15-2/h3,8H,1-2H3.
What are the key properties of methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate has a molecular weight of 235.62 g/mol, XLogP of 2.77, 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-(difluoromethyl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 130074421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).