ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate

C11H12ClF2NO2 — CID 165455745

IUPACethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(C(F)(F)Cl)nc1C
InChIInChI=1S/C11H12ClF2NO2/c1-4-17-10(16)9-6(2)5-8(11(12,13)14)15-7(9)3/h5H,4H2,1-3H3
InChIKeyMSYIFZDNVGCSDE-UHFFFAOYSA-N
MW263.67 g/mol
LogP3.16
Rot. Bonds3

About ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate

ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate (PubChem CID 165455745) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate
PubChem CID165455745
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Nameethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(C(F)(F)Cl)nc1C
InChIInChI=1S/C11H12ClF2NO2/c1-4-17-10(16)9-6(2)5-8(11(12,13)14)15-7(9)3/h5H,4H2,1-3H3
InChIKeyMSYIFZDNVGCSDE-UHFFFAOYSA-N
XLogP3.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 68683222
ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 68681447
ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10687624
2,6-bis[chloro(difluoro)methyl]-4-methylpyridine-3-carboxylic acid
CID 165455753
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134673829
6-(1,1-difluorobutyl)-2,4-dimethylpyridine-3-carboxylic acid
CID 165461599
6-[chloro(difluoro)methyl]-4-methyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 165455754
2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 69019134
ethyl 6-chloro-2,4-bis(trifluoromethyl)pyridine-3-carboxylate
CID 10336213
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
ethyl 4-methyl-6-nitro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677654

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate (CID 165455745) is ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate is CCOC(=O)c1c(C)cc(C(F)(F)Cl)nc1C.
What is the InChIKey of ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate?
The InChIKey is MSYIFZDNVGCSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2/c1-4-17-10(16)9-6(2)5-8(11(12,13)14)15-7(9)3/h5H,4H2,1-3H3.
What are the key properties of ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate?
ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate has a molecular weight of 263.67 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 165455745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).