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

C9H7BrClF2NO2 — CID 134673585

IUPACethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c(Br)c(C(F)F)n1
InChIInChI=1S/C9H7BrClF2NO2/c1-2-16-9(15)5-3-4(11)6(10)7(14-5)8(12)13/h3,8H,2H2,1H3
InChIKeyBTNJFVWSPJIZKB-UHFFFAOYSA-N
MW314.51 g/mol
LogP3.61
Rot. Bonds3

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

ethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 134673585) has the molecular formula C9H7BrClF2NO2 and a molecular weight of 314.51 g/mol. Its IUPAC name is ethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
PubChem CID134673585
Molecular FormulaC9H7BrClF2NO2
Molecular Weight314.51 g/mol
Exact Mass312.93
IUPAC Nameethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c(Br)c(C(F)F)n1
InChIInChI=1S/C9H7BrClF2NO2/c1-2-16-9(15)5-3-4(11)6(10)7(14-5)8(12)13/h3,8H,2H2,1H3
InChIKeyBTNJFVWSPJIZKB-UHFFFAOYSA-N
XLogP3.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate (CID 134673585) is ethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1cc(Cl)c(Br)c(C(F)F)n1.
What is the InChIKey of ethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is BTNJFVWSPJIZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF2NO2/c1-2-16-9(15)5-3-4(11)6(10)7(14-5)8(12)13/h3,8H,2H2,1H3.
What are the key properties of ethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate?
ethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate has a molecular weight of 314.51 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134673585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).