(E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid

C9H7N3O2 — CID 22139098

IUPAC(E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1cnc2nc[nH]c2c1
InChIInChI=1S/C9H7N3O2/c13-8(14)2-1-6-3-7-9(10-4-6)12-5-11-7/h1-5H,(H,13,14)(H,10,11,12)/b2-1+
InChIKeyJMDBUAOMYBSWKN-OWOJBTEDSA-N
MW189.17 g/mol
LogP1.06
Rot. Bonds2

About (E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid

(E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid (PubChem CID 22139098) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is (E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid
PubChem CID22139098
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name(E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1cnc2nc[nH]c2c1
InChIInChI=1S/C9H7N3O2/c13-8(14)2-1-6-3-7-9(10-4-6)12-5-11-7/h1-5H,(H,13,14)(H,10,11,12)/b2-1+
InChIKeyJMDBUAOMYBSWKN-OWOJBTEDSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid (CID 22139098) is (E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid is O=C(O)/C=C/c1cnc2nc[nH]c2c1.
What is the InChIKey of (E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid?
The InChIKey is JMDBUAOMYBSWKN-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-8(14)2-1-6-3-7-9(10-4-6)12-5-11-7/h1-5H,(H,13,14)(H,10,11,12)/b2-1+.
What are the key properties of (E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid?
(E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid has a molecular weight of 189.17 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid is sourced from PubChem (CID 22139098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).