ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate

C9H8BrF2NO3 — CID 134670794

IUPACethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)c(O)cc1Br
InChIInChI=1S/C9H8BrF2NO3/c1-2-16-9(15)6-4(10)3-5(14)7(13-6)8(11)12/h3,8,14H,2H2,1H3
InChIKeyNVKXUNLHQGCESR-UHFFFAOYSA-N
MW296.07 g/mol
LogP2.66
Rot. Bonds3

About ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate

ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate (PubChem CID 134670794) has the molecular formula C9H8BrF2NO3 and a molecular weight of 296.07 g/mol. Its IUPAC name is ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
PubChem CID134670794
Molecular FormulaC9H8BrF2NO3
Molecular Weight296.07 g/mol
Exact Mass294.97
IUPAC Nameethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)c(O)cc1Br
InChIInChI=1S/C9H8BrF2NO3/c1-2-16-9(15)6-4(10)3-5(14)7(13-6)8(11)12/h3,8,14H,2H2,1H3
InChIKeyNVKXUNLHQGCESR-UHFFFAOYSA-N
XLogP2.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.07
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134658559
ethyl 3-bromo-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685236
ethyl 2-bromo-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 134684348
ethyl 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 134674901
ethyl 2-[2-bromo-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134684377
ethyl 3-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 133100576
ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 133093182
ethyl 6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 133093188
ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
CID 133102899
ethyl 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134684036
ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134677140
ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134685207

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
The IUPAC name of ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate (CID 134670794) is ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
The canonical SMILES for ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate is CCOC(=O)c1nc(C(F)F)c(O)cc1Br.
What is the InChIKey of ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
The InChIKey is NVKXUNLHQGCESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO3/c1-2-16-9(15)6-4(10)3-5(14)7(13-6)8(11)12/h3,8,14H,2H2,1H3.
What are the key properties of ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate has a molecular weight of 296.07 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 134670794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).