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

C8H5BrClF2NO2 — CID 130108341

IUPACmethyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Br)c(Cl)c(C(F)F)n1
InChIInChI=1S/C8H5BrClF2NO2/c1-15-8(14)4-2-3(9)5(10)6(13-4)7(11)12/h2,7H,1H3
InChIKeyCXTJDUZKZKWJQC-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.22
Rot. Bonds2

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

methyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 130108341) has the molecular formula C8H5BrClF2NO2 and a molecular weight of 300.49 g/mol. Its IUPAC name is methyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate
PubChem CID130108341
Molecular FormulaC8H5BrClF2NO2
Molecular Weight300.49 g/mol
Exact Mass298.92
IUPAC Namemethyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Br)c(Cl)c(C(F)F)n1
InChIInChI=1S/C8H5BrClF2NO2/c1-15-8(14)4-2-3(9)5(10)6(13-4)7(11)12/h2,7H,1H3
InChIKeyCXTJDUZKZKWJQC-UHFFFAOYSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate (CID 130108341) is methyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate is COC(=O)c1cc(Br)c(Cl)c(C(F)F)n1.
What is the InChIKey of methyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is CXTJDUZKZKWJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO2/c1-15-8(14)4-2-3(9)5(10)6(13-4)7(11)12/h2,7H,1H3.
What are the key properties of methyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate?
methyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate has a molecular weight of 300.49 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 130108341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).