7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate

C18H14Br2N4O4 — CID 161214225

IUPAC7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Br)ccn12.O=C(O)c1cnc2cc(Br)ccn12
InChIInChI=1S/C10H9BrN2O2.C8H5BrN2O2/c1-2-15-10(14)8-6-12-9-5-7(11)3-4-13(8)9;9-5-1-2-11-6(8(12)13)4-10-7(11)3-5/h3-6H,2H2,1H3;1-4H,(H,12,13)
InChIKeyUWQHZXPZIQGKCE-UHFFFAOYSA-N
MW510.14 g/mol
LogP4.07
Rot. Bonds3

About 7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate

7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 161214225) has the molecular formula C18H14Br2N4O4 and a molecular weight of 510.14 g/mol. Its IUPAC name is 7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID161214225
Molecular FormulaC18H14Br2N4O4
Molecular Weight510.14 g/mol
Exact Mass507.94
IUPAC Name7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Br)ccn12.O=C(O)c1cnc2cc(Br)ccn12
InChIInChI=1S/C10H9BrN2O2.C8H5BrN2O2/c1-2-15-10(14)8-6-12-9-5-7(11)3-4-13(8)9;9-5-1-2-11-6(8(12)13)4-10-7(11)3-5/h3-6H,2H2,1H3;1-4H,(H,12,13)
InChIKeyUWQHZXPZIQGKCE-UHFFFAOYSA-N
XLogP4.07
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.14
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 821015
Ethyl 3-aminoimidazo[1,2-a]pyridine-2-carboxylate
CID 11084975
Ethyl imidazo[1,2-a]pyridine-2-carboxylate hydrobromide
CID 12382121
Ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
7-[2-(6-Fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-8-propyl-imidazo[1,2-c]pyrimidine-2-carboxylic acid ethyl ester
CID 11361822
Ethyl imidazo[1,2-a]pyridine-2-carboxylate
CID 818807
Ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 7141939
Ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 15152339
Ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
CID 22031055
6-Bromoimidazo(1,2-a)pyridine-2-carboxylic acid
CID 2757018
Ethyl 6-bromo-2-methylimidazo[1,2-A]pyridine-3-carboxylate
CID 12872594
Ethyl 2-aminoimidazo(1,2-a)pyridine-3-carboxylate
CID 15871473

Frequently Asked Questions

What is the IUPAC name of 7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of 7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate (CID 161214225) is 7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for 7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for 7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2cc(Br)ccn12.O=C(O)c1cnc2cc(Br)ccn12.
What is the InChIKey of 7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is UWQHZXPZIQGKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2.C8H5BrN2O2/c1-2-15-10(14)8-6-12-9-5-7(11)3-4-13(8)9;9-5-1-2-11-6(8(12)13)4-10-7(11)3-5/h3-6H,2H2,1H3;1-4H,(H,12,13).
What are the key properties of 7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate?
7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 510.14 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 161214225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).