methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate

C8H6BrF2NO3 — CID 138609183

IUPACmethyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC(F)F)ncc1Br
InChIInChI=1S/C8H6BrF2NO3/c1-14-7(13)4-2-6(15-8(10)11)12-3-5(4)9/h2-3,8H,1H3
InChIKeyOJRWCALMKYWTLK-UHFFFAOYSA-N
MW282.04 g/mol
LogP2.23
Rot. Bonds3

About methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate

methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate (PubChem CID 138609183) has the molecular formula C8H6BrF2NO3 and a molecular weight of 282.04 g/mol. Its IUPAC name is methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate
PubChem CID138609183
Molecular FormulaC8H6BrF2NO3
Molecular Weight282.04 g/mol
Exact Mass280.95
IUPAC Namemethyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC(F)F)ncc1Br
InChIInChI=1S/C8H6BrF2NO3/c1-14-7(13)4-2-6(15-8(10)11)12-3-5(4)9/h2-3,8H,1H3
InChIKeyOJRWCALMKYWTLK-UHFFFAOYSA-N
XLogP2.23
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.04
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-2-propan-2-yloxypyridine-4-carboxylate
CID 86723769
methyl 5-bromo-2-cyclopropyloxypyridine-4-carboxylate
CID 154595238
methyl 5-bromo-2-iodopyridine-4-carboxylate
CID 91667368
methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
nitroso 5-bromo-2-methoxypyridine-4-carboxylate
CID 175292393
methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 170909839
bis(5-bromo-2-methoxy-4-pyridinyl)methanone
CID 145284641
methyl 2-propan-2-yloxy-5-propylpyridine-4-carboxylate
CID 90246137
methyl 5-bromo-2-(difluoromethoxy)-4-formylbenzoate
CID 171011223
methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate
CID 118435622
methyl 5-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine-4-carboxylate
CID 175640260
ethyl 5-bromo-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 171029018

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate?
The IUPAC name of methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate (CID 138609183) is methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate is COC(=O)c1cc(OC(F)F)ncc1Br.
What is the InChIKey of methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate?
The InChIKey is OJRWCALMKYWTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO3/c1-14-7(13)4-2-6(15-8(10)11)12-3-5(4)9/h2-3,8H,1H3.
What are the key properties of methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate?
methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate has a molecular weight of 282.04 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate is sourced from PubChem (CID 138609183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).