methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate

C8H6BrF2NO3 — CID 130110498

IUPACmethyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)F)c(Br)c1O
InChIInChI=1S/C8H6BrF2NO3/c1-15-8(14)5-6(13)4(9)3(2-12-5)7(10)11/h2,7,13H,1H3
InChIKeyLFTWAGCLGPJELC-UHFFFAOYSA-N
MW282.04 g/mol
LogP2.27
Rot. Bonds2

About methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate

methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate (PubChem CID 130110498) has the molecular formula C8H6BrF2NO3 and a molecular weight of 282.04 g/mol. Its IUPAC name is methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
PubChem CID130110498
Molecular FormulaC8H6BrF2NO3
Molecular Weight282.04 g/mol
Exact Mass280.95
IUPAC Namemethyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)F)c(Br)c1O
InChIInChI=1S/C8H6BrF2NO3/c1-15-8(14)5-6(13)4(9)3(2-12-5)7(10)11/h2,7,13H,1H3
InChIKeyLFTWAGCLGPJELC-UHFFFAOYSA-N
XLogP2.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.04
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-bromo-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134667411
methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130072747
methyl 4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134674291
methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102191
4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
CID 133103469
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
methyl 4-amino-3-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102966
methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate
CID 130083999
methyl 5-(aminomethyl)-3-bromo-4-(difluoromethyl)pyridine-2-carboxylate
CID 134671855
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035
methyl 4-bromo-3,5-difluoropyridine-2-carboxylate
CID 141301095

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate?
The IUPAC name of methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate (CID 130110498) is methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate is COC(=O)c1ncc(C(F)F)c(Br)c1O.
What is the InChIKey of methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate?
The InChIKey is LFTWAGCLGPJELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO3/c1-15-8(14)5-6(13)4(9)3(2-12-5)7(10)11/h2,7,13H,1H3.
What are the key properties of methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate?
methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate has a molecular weight of 282.04 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 130110498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).