(E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

C11H9BrN2O2 — CID 39196018

IUPAC(E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCc1nc2ccc(Br)cn2c1/C=C/C(=O)O
InChIInChI=1S/C11H9BrN2O2/c1-7-9(3-5-11(15)16)14-6-8(12)2-4-10(14)13-7/h2-6H,1H3,(H,15,16)/b5-3+
InChIKeyRFHWVIBJYSLZGS-HWKANZROSA-N
MW281.11 g/mol
LogP2.50
Rot. Bonds2

About (E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

(E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (PubChem CID 39196018) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is (E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
PubChem CID39196018
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name(E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCc1nc2ccc(Br)cn2c1/C=C/C(=O)O
InChIInChI=1S/C11H9BrN2O2/c1-7-9(3-5-11(15)16)14-6-8(12)2-4-10(14)13-7/h2-6H,1H3,(H,15,16)/b5-3+
InChIKeyRFHWVIBJYSLZGS-HWKANZROSA-N
XLogP2.50
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (CID 39196018) is (E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is Cc1nc2ccc(Br)cn2c1/C=C/C(=O)O.
What is the InChIKey of (E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The InChIKey is RFHWVIBJYSLZGS-HWKANZROSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-7-9(3-5-11(15)16)14-6-8(12)2-4-10(14)13-7/h2-6H,1H3,(H,15,16)/b5-3+.
What are the key properties of (E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
(E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid has a molecular weight of 281.11 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 39196018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).