(E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate

C17H12BrN2O2- — CID 7015432

IUPAC(E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCc1ccn2c(/C=C/C(=O)[O-])c(-c3ccc(Br)cc3)nc2c1
InChIInChI=1S/C17H13BrN2O2/c1-11-8-9-20-14(6-7-16(21)22)17(19-15(20)10-11)12-2-4-13(18)5-3-12/h2-10H,1H3,(H,21,22)/p-1/b7-6+
InChIKeyVRMAQRIMGPMGBC-VOTSOKGWSA-M
MW356.20 g/mol
LogP2.84
Rot. Bonds3

About (E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate

(E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate (PubChem CID 7015432) has the molecular formula C17H12BrN2O2- and a molecular weight of 356.20 g/mol. Its IUPAC name is (E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
PubChem CID7015432
Molecular FormulaC17H12BrN2O2-
Molecular Weight356.20 g/mol
Exact Mass355.01
IUPAC Name(E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCc1ccn2c(/C=C/C(=O)[O-])c(-c3ccc(Br)cc3)nc2c1
InChIInChI=1S/C17H13BrN2O2/c1-11-8-9-20-14(6-7-16(21)22)17(19-15(20)10-11)12-2-4-13(18)5-3-12/h2-10H,1H3,(H,21,22)/p-1/b7-6+
InChIKeyVRMAQRIMGPMGBC-VOTSOKGWSA-M
XLogP2.84
TPSA57.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023668
(E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023667
(E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023691
(E)-3-[7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195945
2-(4-bromophenyl)-3-ethyl-7-methylimidazo[1,2-a]pyridine
CID 100820877
(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195944
(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023742
1-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029416
1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate
CID 138111535
7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 44726067
(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023674
3-[6-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2757080

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The IUPAC name of (E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate (CID 7015432) is (E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate.
What is the SMILES notation for (E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The canonical SMILES for (E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate is Cc1ccn2c(/C=C/C(=O)[O-])c(-c3ccc(Br)cc3)nc2c1.
What is the InChIKey of (E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The InChIKey is VRMAQRIMGPMGBC-VOTSOKGWSA-M. The full InChI is InChI=1S/C17H13BrN2O2/c1-11-8-9-20-14(6-7-16(21)22)17(19-15(20)10-11)12-2-4-13(18)5-3-12/h2-10H,1H3,(H,21,22)/p-1/b7-6+.
What are the key properties of (E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
(E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate has a molecular weight of 356.20 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate is sourced from PubChem (CID 7015432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).