ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate

C9H7ClF3NO2 — CID 134662482

IUPACethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1cc(F)c(C(F)F)c(Cl)n1
InChIInChI=1S/C9H7ClF3NO2/c1-2-16-9(15)5-3-4(11)6(8(12)13)7(10)14-5/h3,8H,2H2,1H3
InChIKeyXKWPOPVTTWFBRI-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.99
Rot. Bonds3

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

ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate (PubChem CID 134662482) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
PubChem CID134662482
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Nameethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1cc(F)c(C(F)F)c(Cl)n1
InChIInChI=1S/C9H7ClF3NO2/c1-2-16-9(15)5-3-4(11)6(8(12)13)7(10)14-5/h3,8H,2H2,1H3
InChIKeyXKWPOPVTTWFBRI-UHFFFAOYSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.99
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

ethyl 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-carboxylate
CID 134670947
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164
ethyl 6-chloro-5-fluoropyridine-2-carboxylate
CID 46311494
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 133090953
ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 134658929
ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate
CID 133100416
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685610
ethyl 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
ethyl 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134662410
ethyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134662492

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
The IUPAC name of ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate (CID 134662482) is ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate is CCOC(=O)c1cc(F)c(C(F)F)c(Cl)n1.
What is the InChIKey of ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
The InChIKey is XKWPOPVTTWFBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c1-2-16-9(15)5-3-4(11)6(8(12)13)7(10)14-5/h3,8H,2H2,1H3.
What are the key properties of ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate?
ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate has a molecular weight of 253.61 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate is sourced from PubChem (CID 134662482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).