ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate

C10H9Cl2F2NO2 — CID 134685610

IUPACethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(CCl)c(Cl)c(C(F)F)n1
InChIInChI=1S/C10H9Cl2F2NO2/c1-2-17-10(16)6-3-5(4-11)7(12)8(15-6)9(13)14/h3,9H,2,4H2,1H3
InChIKeyLGTWIPKSNFGSSK-UHFFFAOYSA-N
MW284.09 g/mol
LogP3.59
Rot. Bonds4

About ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate

ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 134685610) has the molecular formula C10H9Cl2F2NO2 and a molecular weight of 284.09 g/mol. Its IUPAC name is ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
PubChem CID134685610
Molecular FormulaC10H9Cl2F2NO2
Molecular Weight284.09 g/mol
Exact Mass283.00
IUPAC Nameethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(CCl)c(Cl)c(C(F)F)n1
InChIInChI=1S/C10H9Cl2F2NO2/c1-2-17-10(16)6-3-5(4-11)7(12)8(15-6)9(13)14/h3,9H,2,4H2,1H3
InChIKeyLGTWIPKSNFGSSK-UHFFFAOYSA-N
XLogP3.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 53.59
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 5-bromo-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134674811
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
ethyl 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134662410
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085207
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674227
ethyl 3-bromo-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685236
ethyl 4-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134677221
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668307
ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 133093182
ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134662482

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate (CID 134685610) is ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1cc(CCl)c(Cl)c(C(F)F)n1.
What is the InChIKey of ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is LGTWIPKSNFGSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F2NO2/c1-2-17-10(16)6-3-5(4-11)7(12)8(15-6)9(13)14/h3,9H,2,4H2,1H3.
What are the key properties of ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate?
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate has a molecular weight of 284.09 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134685610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).