ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide

C16H15BrN2O2 — CID 67768891

IUPACethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
SMILESBr.CCOC(=O)c1cccn2cc(-c3ccccc3)nc12
InChIInChI=1S/C16H14N2O2.BrH/c1-2-20-16(19)13-9-6-10-18-11-14(17-15(13)18)12-7-4-3-5-8-12;/h3-11H,2H2,1H3;1H
InChIKeyVWINDHCYPCWPLQ-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.76
Rot. Bonds3

About ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide

ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide (PubChem CID 67768891) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide.

Molecular Properties

Compound Nameethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
PubChem CID67768891
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Nameethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
SMILESBr.CCOC(=O)c1cccn2cc(-c3ccccc3)nc12
InChIInChI=1S/C16H14N2O2.BrH/c1-2-20-16(19)13-9-6-10-18-11-14(17-15(13)18)12-7-4-3-5-8-12;/h3-11H,2H2,1H3;1H
InChIKeyVWINDHCYPCWPLQ-UHFFFAOYSA-N
XLogP3.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 58208423
ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 58208449
ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 59280012
ethyl 2-phenylindolizine-8-carboxylate
CID 15562881
ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
CID 110704737
ethyl 8-carbamoylimidazo[1,2-a]pyridine-2-carboxylate
CID 143716769
ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 134551584
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 36995520
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate;ethyl 2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 161371003
CID 70300240
CID 70300240
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide?
The IUPAC name of ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide (CID 67768891) is ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide.
What is the SMILES notation for ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide?
The canonical SMILES for ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide is Br.CCOC(=O)c1cccn2cc(-c3ccccc3)nc12.
What is the InChIKey of ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide?
The InChIKey is VWINDHCYPCWPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2.BrH/c1-2-20-16(19)13-9-6-10-18-11-14(17-15(13)18)12-7-4-3-5-8-12;/h3-11H,2H2,1H3;1H.
What are the key properties of ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide?
ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide has a molecular weight of 347.21 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide is sourced from PubChem (CID 67768891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).