methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate

C8H9BrN2O3 — CID 155682412

IUPACmethyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)c(Br)cc1N
InChIInChI=1S/C8H9BrN2O3/c1-13-7-4(9)3-5(10)6(11-7)8(12)14-2/h3H,10H2,1-2H3
InChIKeyFFKQHLWEESTYRB-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.22
Rot. Bonds2

About methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate

methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate (PubChem CID 155682412) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate
PubChem CID155682412
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Namemethyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)c(Br)cc1N
InChIInChI=1S/C8H9BrN2O3/c1-13-7-4(9)3-5(10)6(11-7)8(12)14-2/h3H,10H2,1-2H3
InChIKeyFFKQHLWEESTYRB-UHFFFAOYSA-N
XLogP1.22
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate
CID 170576528
methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate
CID 84728484
3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
CID 159313414
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222
methyl 3-amino-6-methoxypyridine-2-carboxylate;hydrochloride
CID 71544878
methyl 3-amino-5,6-dibromopyrazine-2-carboxylate
CID 141482707
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
CID 133060908
methyl 5-bromo-2-methoxy-6-methylpyridine-3-carboxylate
CID 59411423
methyl 3-amino-4-bromo-6-(chloromethyl)pyridine-2-carboxylate
CID 155680302
methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate
CID 105465498
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate (CID 155682412) is methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate is COC(=O)c1nc(OC)c(Br)cc1N.
What is the InChIKey of methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate?
The InChIKey is FFKQHLWEESTYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c1-13-7-4(9)3-5(10)6(11-7)8(12)14-2/h3H,10H2,1-2H3.
What are the key properties of methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate?
methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate has a molecular weight of 261.07 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate is sourced from PubChem (CID 155682412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).