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

C8H5BrClF2NO2 — CID 130108323

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

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

methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 130108323) has the molecular formula C8H5BrClF2NO2 and a molecular weight of 300.49 g/mol. Its IUPAC name is methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
PubChem CID130108323
Molecular FormulaC8H5BrClF2NO2
Molecular Weight300.49 g/mol
Exact Mass298.92
IUPAC Namemethyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c(Br)c(C(F)F)n1
InChIInChI=1S/C8H5BrClF2NO2/c1-15-8(14)4-2-3(10)5(9)6(13-4)7(11)12/h2,7H,1H3
InChIKeyKYRPQVSBABAUSV-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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Related Compounds

5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108417
methyl 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carboxylate
CID 134677721
methyl 5-(bromomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 130087279
methyl 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-carboxylate
CID 130086259
methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106624
methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 124706094
methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130099415
methyl 5-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682597
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
ethyl 5-bromo-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134674811
ethyl 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134662410

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate (CID 130108323) is methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate is COC(=O)c1cc(Cl)c(Br)c(C(F)F)n1.
What is the InChIKey of methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is KYRPQVSBABAUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO2/c1-15-8(14)4-2-3(10)5(9)6(13-4)7(11)12/h2,7H,1H3.
What are the key properties of methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate?
methyl 5-bromo-4-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 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 130108323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).