ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate

C10H10BrN3O2 — CID 131624320

IUPACethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(Br)ccnc2n1C
InChIInChI=1S/C10H10BrN3O2/c1-3-16-10(15)9-13-7-6(11)4-5-12-8(7)14(9)2/h4-5H,3H2,1-2H3
InChIKeyCCGMWXVDEIJUKY-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.91
Rot. Bonds2

About ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate

ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate (PubChem CID 131624320) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate
PubChem CID131624320
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Nameethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(Br)ccnc2n1C
InChIInChI=1S/C10H10BrN3O2/c1-3-16-10(15)9-13-7-6(11)4-5-12-8(7)14(9)2/h4-5H,3H2,1-2H3
InChIKeyCCGMWXVDEIJUKY-UHFFFAOYSA-N
XLogP1.91
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4,5-dibromo-1-methylimidazole-2-carboxylate
CID 130115155
ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357720
ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate
CID 71743160
diethyl 2-bromopyridine-3,4-dicarboxylate
CID 163204042
ethyl 4-amino-5-fluoro-1-methylimidazole-2-carboxylate
CID 71743159
ethyl 7-amino-1-methylbenzimidazole-2-carboxylate
CID 131268180
ethyl 2-methylpyrazolo[3,4-c]pyridine-7-carboxylate
CID 118987364
ethyl 8-methyl-7-oxo-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate
CID 14460551
ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
CID 166475904
ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate
CID 123135674
ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63358168
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942

Frequently Asked Questions

What is the IUPAC name of ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate (CID 131624320) is ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate is CCOC(=O)c1nc2c(Br)ccnc2n1C.
What is the InChIKey of ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate?
The InChIKey is CCGMWXVDEIJUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-3-16-10(15)9-13-7-6(11)4-5-12-8(7)14(9)2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate?
ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate has a molecular weight of 284.11 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate is sourced from PubChem (CID 131624320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).