methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate

C9H10BrNO4 — CID 86205250

IUPACmethyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(OC)c(Br)n1
InChIInChI=1S/C9H10BrNO4/c1-13-6-4-5(9(12)15-3)11-8(10)7(6)14-2/h4H,1-3H3
InChIKeyGOYXLBBPBTXHBV-UHFFFAOYSA-N
MW276.09 g/mol
LogP1.65
Rot. Bonds3

About methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate

methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate (PubChem CID 86205250) has the molecular formula C9H10BrNO4 and a molecular weight of 276.09 g/mol. Its IUPAC name is methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
PubChem CID86205250
Molecular FormulaC9H10BrNO4
Molecular Weight276.09 g/mol
Exact Mass274.98
IUPAC Namemethyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(OC)c(Br)n1
InChIInChI=1S/C9H10BrNO4/c1-13-6-4-5(9(12)15-3)11-8(10)7(6)14-2/h4H,1-3H3
InChIKeyGOYXLBBPBTXHBV-UHFFFAOYSA-N
XLogP1.65
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate
CID 54270021
methyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134679723
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate
CID 134859415
methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
CID 114250699
methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
CID 103416918
methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate
CID 70055022
methyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 15281236
methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
CID 63376981
methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
CID 133060908
1-bromo-5-methoxyisoquinoline-3-carboxylic acid
CID 155891869
methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
CID 102942093

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate?
The IUPAC name of methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate (CID 86205250) is methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate?
The canonical SMILES for methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate is COC(=O)c1cc(OC)c(OC)c(Br)n1.
What is the InChIKey of methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate?
The InChIKey is GOYXLBBPBTXHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4/c1-13-6-4-5(9(12)15-3)11-8(10)7(6)14-2/h4H,1-3H3.
What are the key properties of methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate?
methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate has a molecular weight of 276.09 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate is sourced from PubChem (CID 86205250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).