ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate

C10H9ClF3NO2 — CID 133103828

IUPACethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)cc(F)c1CCl
InChIInChI=1S/C10H9ClF3NO2/c1-2-17-10(16)8-5(4-11)6(12)3-7(15-8)9(13)14/h3,9H,2,4H2,1H3
InChIKeyDBAYLUJHCLCIRJ-UHFFFAOYSA-N
MW267.63 g/mol
LogP3.07
Rot. Bonds4

About ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate

ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate (PubChem CID 133103828) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate
PubChem CID133103828
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Nameethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)cc(F)c1CCl
InChIInChI=1S/C10H9ClF3NO2/c1-2-17-10(16)8-5(4-11)6(12)3-7(15-8)9(13)14/h3,9H,2,4H2,1H3
InChIKeyDBAYLUJHCLCIRJ-UHFFFAOYSA-N
XLogP3.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 53.07
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 3-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 133104034
ethyl 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
ethyl 4-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669270
ethyl 2-[6-(difluoromethyl)-4-fluoro-2-methyl-3-pyridinyl]acetate
CID 133104991
ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate
CID 133100411
methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 130075735
ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685877
ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134664601
ethyl 5-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 133103819
ethyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134673701
ethyl 6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 133093188
ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133091151

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
The IUPAC name of ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate (CID 133103828) is ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate is CCOC(=O)c1nc(C(F)F)cc(F)c1CCl.
What is the InChIKey of ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
The InChIKey is DBAYLUJHCLCIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-2-17-10(16)8-5(4-11)6(12)3-7(15-8)9(13)14/h3,9H,2,4H2,1H3.
What are the key properties of ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate has a molecular weight of 267.63 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate is sourced from PubChem (CID 133103828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).