(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid

C10H8N2O2 — CID 39196020

IUPAC(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid
SMILESO=C(O)/C=C/c1cnc2ccccn12
InChIInChI=1S/C10H8N2O2/c13-10(14)5-4-8-7-11-9-3-1-2-6-12(8)9/h1-7H,(H,13,14)/b5-4+
InChIKeyCSCGYAWFRJFSMF-SNAWJCMRSA-N
MW188.19 g/mol
LogP1.43
Rot. Bonds2

About (E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid

(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid (PubChem CID 39196020) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid
PubChem CID39196020
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid
SMILESO=C(O)/C=C/c1cnc2ccccn12
InChIInChI=1S/C10H8N2O2/c13-10(14)5-4-8-7-11-9-3-1-2-6-12(8)9/h1-7H,(H,13,14)/b5-4+
InChIKeyCSCGYAWFRJFSMF-SNAWJCMRSA-N
XLogP1.43
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.43
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

(2-Pyridin-2-yl-1H-benzimidazol-1-yl)acetic acid
CID 3164138
Imidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062168
2-Chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2360195
Imidazo(1,2-a)pyridine-3-carboxylic acid
CID 73142
2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 89054
Imidazo[1,2-a]pyridine-3-acetic acid
CID 87284
2-Methylimidazo[1,2-a]pyridin-3-amine
CID 15533833
1-{2-Methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
CID 2735255
2-(Imidazo(1,2-a)pyridin-2-yl)ethan-1-amine
CID 7536516
{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]thio}acetic acid
CID 20955361
2-(7-Methylimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 326092
2-(((6-Chloroimidazo[1,2-a]pyridin-2-yl)methyl)thio)acetic acid
CID 4262836

Frequently Asked Questions

What is the IUPAC name of (E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid?
The IUPAC name of (E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid (CID 39196020) is (E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid is O=C(O)/C=C/c1cnc2ccccn12.
What is the InChIKey of (E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid?
The InChIKey is CSCGYAWFRJFSMF-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)5-4-8-7-11-9-3-1-2-6-12(8)9/h1-7H,(H,13,14)/b5-4+.
What are the key properties of (E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid?
(E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid has a molecular weight of 188.19 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoic acid is sourced from PubChem (CID 39196020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).