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

C10H9N3O2 — CID 59533541

IUPAC(E)-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid
SMILESCc1nc2ncc(/C=C/C(=O)O)cc2[nH]1
InChIInChI=1S/C10H9N3O2/c1-6-12-8-4-7(2-3-9(14)15)5-11-10(8)13-6/h2-5H,1H3,(H,14,15)(H,11,12,13)/b3-2+
InChIKeyGOSVTBZODDDUEF-NSCUHMNNSA-N
MW203.20 g/mol
LogP1.36
Rot. Bonds2

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

(E)-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid (PubChem CID 59533541) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is (E)-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid
PubChem CID59533541
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name(E)-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid
SMILESCc1nc2ncc(/C=C/C(=O)O)cc2[nH]1
InChIInChI=1S/C10H9N3O2/c1-6-12-8-4-7(2-3-9(14)15)5-11-10(8)13-6/h2-5H,1H3,(H,14,15)(H,11,12,13)/b3-2+
InChIKeyGOSVTBZODDDUEF-NSCUHMNNSA-N
XLogP1.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.36
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-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid (CID 59533541) is (E)-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid is Cc1nc2ncc(/C=C/C(=O)O)cc2[nH]1.
What is the InChIKey of (E)-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid?
The InChIKey is GOSVTBZODDDUEF-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-6-12-8-4-7(2-3-9(14)15)5-11-10(8)13-6/h2-5H,1H3,(H,14,15)(H,11,12,13)/b3-2+.
What are the key properties of (E)-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid?
(E)-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid has a molecular weight of 203.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid is sourced from PubChem (CID 59533541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).