(E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

C10H7BrN2O2 — CID 82529321

IUPAC(E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1cnc2c(Br)cccn12
InChIInChI=1S/C10H7BrN2O2/c11-8-2-1-5-13-7(3-4-9(14)15)6-12-10(8)13/h1-6H,(H,14,15)/b4-3+
InChIKeyVNNOWSODCFSBHX-ONEGZZNKSA-N
MW267.08 g/mol
LogP2.19
Rot. Bonds2

About (E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

(E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (PubChem CID 82529321) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is (E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
PubChem CID82529321
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name(E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1cnc2c(Br)cccn12
InChIInChI=1S/C10H7BrN2O2/c11-8-2-1-5-13-7(3-4-9(14)15)6-12-10(8)13/h1-6H,(H,14,15)/b4-3+
InChIKeyVNNOWSODCFSBHX-ONEGZZNKSA-N
XLogP2.19
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde
CID 58449869
(E)-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82530339
(E)-3-(6-chloro-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82531076
3-(2,3-dimethylimidazol-4-yl)prop-2-enoic acid
CID 66913319
(E)-3-(2-bromophenyl)prop-2-enoic acid
CID 688321
(4-amino-3,5-difluorophenyl)-(8-bromoimidazo[1,2-a]pyridin-3-yl)methanone
CID 166102479
(E)-3-[2-(2-bromophenyl)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82308815
methyl 3-ethenylimidazo[1,2-a]pyridine-8-carboxylate
CID 135146869
(E)-3-(3-phenylimidazol-4-yl)prop-2-enoic acid
CID 70117512
1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol
CID 164947783
(E)-3-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]prop-2-enoic acid
CID 1477852
(E)-3-[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 39196382

Frequently Asked Questions

What is the IUPAC name of (E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (CID 82529321) is (E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is O=C(O)/C=C/c1cnc2c(Br)cccn12.
What is the InChIKey of (E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The InChIKey is VNNOWSODCFSBHX-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-8-2-1-5-13-7(3-4-9(14)15)6-12-10(8)13/h1-6H,(H,14,15)/b4-3+.
What are the key properties of (E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
(E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid has a molecular weight of 267.08 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 82529321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).