methyl 3-bromo-2-methoxypyridine-4-carboxylate

C8H8BrNO3 — CID 46311220

IUPACmethyl 3-bromo-2-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OC)c1Br
InChIInChI=1S/C8H8BrNO3/c1-12-7-6(9)5(3-4-10-7)8(11)13-2/h3-4H,1-2H3
InChIKeyDGOSQZNXHGSLCS-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.64
Rot. Bonds2

About methyl 3-bromo-2-methoxypyridine-4-carboxylate

methyl 3-bromo-2-methoxypyridine-4-carboxylate (PubChem CID 46311220) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is methyl 3-bromo-2-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-2-methoxypyridine-4-carboxylate
PubChem CID46311220
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Namemethyl 3-bromo-2-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OC)c1Br
InChIInChI=1S/C8H8BrNO3/c1-12-7-6(9)5(3-4-10-7)8(11)13-2/h3-4H,1-2H3
InChIKeyDGOSQZNXHGSLCS-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

ethyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311482
methyl 3-bromo-2-cyanopyridine-4-carboxylate
CID 131187881
methyl 2-methoxy-3-(triazol-2-yl)pyridine-4-carboxylate
CID 175978217
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
methyl 3-bromo-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 131552131
methyl 2-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723742
(3-bromo-2-methoxy-4-pyridinyl)hydrazine
CID 146279469
methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate
CID 131602198
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 124705864
methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285352
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222
methyl 2-fluoro-3-methylpyridine-4-carboxylate
CID 118989256

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-2-methoxypyridine-4-carboxylate?
The IUPAC name of methyl 3-bromo-2-methoxypyridine-4-carboxylate (CID 46311220) is methyl 3-bromo-2-methoxypyridine-4-carboxylate.
What is the SMILES notation for methyl 3-bromo-2-methoxypyridine-4-carboxylate?
The canonical SMILES for methyl 3-bromo-2-methoxypyridine-4-carboxylate is COC(=O)c1ccnc(OC)c1Br.
What is the InChIKey of methyl 3-bromo-2-methoxypyridine-4-carboxylate?
The InChIKey is DGOSQZNXHGSLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-12-7-6(9)5(3-4-10-7)8(11)13-2/h3-4H,1-2H3.
What are the key properties of methyl 3-bromo-2-methoxypyridine-4-carboxylate?
methyl 3-bromo-2-methoxypyridine-4-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 3-bromo-2-methoxypyridine-4-carboxylate is sourced from PubChem (CID 46311220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).