methyl 5-bromo-6-methoxypyridine-2-carboxylate

C8H8BrNO3 — CID 46311222

IUPACmethyl 5-bromo-6-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Br)c(OC)n1
InChIInChI=1S/C8H8BrNO3/c1-12-7-5(9)3-4-6(10-7)8(11)13-2/h3-4H,1-2H3
InChIKeySLRACMVCMVIRFA-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.64
Rot. Bonds2

About methyl 5-bromo-6-methoxypyridine-2-carboxylate

methyl 5-bromo-6-methoxypyridine-2-carboxylate (PubChem CID 46311222) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is methyl 5-bromo-6-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-6-methoxypyridine-2-carboxylate
PubChem CID46311222
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Namemethyl 5-bromo-6-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Br)c(OC)n1
InChIInChI=1S/C8H8BrNO3/c1-12-7-5(9)3-4-6(10-7)8(11)13-2/h3-4H,1-2H3
InChIKeySLRACMVCMVIRFA-UHFFFAOYSA-N
XLogP1.64
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 15281236
methyl 5-bromo-6-[[(2R)-piperazin-2-yl]methoxy]pyridine-2-carboxylate
CID 175963253
methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636682
methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate
CID 114408445
methyl 5-bromo-6-(cyclopropanecarbothioylamino)pyridine-2-carboxylate
CID 118644507
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate
CID 155682412
methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate
CID 176920492
methyl 5-bromo-6-(3-methoxy-3-methylazetidin-1-yl)pyridine-2-carboxylate
CID 177178228
azane;3-bromo-2-methoxy-6-methylpyridine
CID 175713094
methyl 6-bromo-5-[(Z)-2-bromoethenyl]pyridine-2-carboxylate
CID 135084161
methyl 5-bromopyridine-2-carboxylate
CID 7016458

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-6-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 5-bromo-6-methoxypyridine-2-carboxylate (CID 46311222) is methyl 5-bromo-6-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 5-bromo-6-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 5-bromo-6-methoxypyridine-2-carboxylate is COC(=O)c1ccc(Br)c(OC)n1.
What is the InChIKey of methyl 5-bromo-6-methoxypyridine-2-carboxylate?
The InChIKey is SLRACMVCMVIRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-12-7-5(9)3-4-6(10-7)8(11)13-2/h3-4H,1-2H3.
What are the key properties of methyl 5-bromo-6-methoxypyridine-2-carboxylate?
methyl 5-bromo-6-methoxypyridine-2-carboxylate has a molecular weight of 246.06 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-6-methoxypyridine-2-carboxylate is sourced from PubChem (CID 46311222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).