methyl 4-bromo-3,5-difluoropyridine-2-carboxylate

C7H4BrF2NO2 — CID 141301095

IUPACmethyl 4-bromo-3,5-difluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(F)c(Br)c1F
InChIInChI=1S/C7H4BrF2NO2/c1-13-7(12)6-5(10)4(8)3(9)2-11-6/h2H,1H3
InChIKeyKCOPCXNDFOZSBE-UHFFFAOYSA-N
MW252.01 g/mol
LogP1.91
Rot. Bonds1

About methyl 4-bromo-3,5-difluoropyridine-2-carboxylate

methyl 4-bromo-3,5-difluoropyridine-2-carboxylate (PubChem CID 141301095) has the molecular formula C7H4BrF2NO2 and a molecular weight of 252.01 g/mol. Its IUPAC name is methyl 4-bromo-3,5-difluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-3,5-difluoropyridine-2-carboxylate
PubChem CID141301095
Molecular FormulaC7H4BrF2NO2
Molecular Weight252.01 g/mol
Exact Mass250.94
IUPAC Namemethyl 4-bromo-3,5-difluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(F)c(Br)c1F
InChIInChI=1S/C7H4BrF2NO2/c1-13-7(12)6-5(10)4(8)3(9)2-11-6/h2H,1H3
InChIKeyKCOPCXNDFOZSBE-UHFFFAOYSA-N
XLogP1.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.01
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-bromo-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134667411
methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130110498
methyl 4-bromo-2,3,5-trifluorobenzoate
CID 122620788
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate
CID 133105353
methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102191
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
methyl 3-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134663820
methyl 4-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133103914
methyl 4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134674291

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-3,5-difluoropyridine-2-carboxylate?
The IUPAC name of methyl 4-bromo-3,5-difluoropyridine-2-carboxylate (CID 141301095) is methyl 4-bromo-3,5-difluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-bromo-3,5-difluoropyridine-2-carboxylate?
The canonical SMILES for methyl 4-bromo-3,5-difluoropyridine-2-carboxylate is COC(=O)c1ncc(F)c(Br)c1F.
What is the InChIKey of methyl 4-bromo-3,5-difluoropyridine-2-carboxylate?
The InChIKey is KCOPCXNDFOZSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO2/c1-13-7(12)6-5(10)4(8)3(9)2-11-6/h2H,1H3.
What are the key properties of methyl 4-bromo-3,5-difluoropyridine-2-carboxylate?
methyl 4-bromo-3,5-difluoropyridine-2-carboxylate has a molecular weight of 252.01 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-3,5-difluoropyridine-2-carboxylate is sourced from PubChem (CID 141301095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).