(2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide

C8H10Br2N2 — CID 139030572

IUPAC(2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide
SMILESBr/C=C1\CN2CC=CC=C2[NH2+]1.[Br-]
InChIInChI=1S/C8H9BrN2.BrH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-3,5,10H,4,6H2;1H/b7-5+;
InChIKeyFAEAORIVEDXDCV-GZOLSCHFSA-N
MW293.99 g/mol
LogP-2.48
Rot. Bonds

About (2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide

(2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide (PubChem CID 139030572) has the molecular formula C8H10Br2N2 and a molecular weight of 293.99 g/mol. Its IUPAC name is (2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide.

Molecular Properties

Compound Name(2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide
PubChem CID139030572
Molecular FormulaC8H10Br2N2
Molecular Weight293.99 g/mol
Exact Mass291.92
IUPAC Name(2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide
SMILESBr/C=C1\CN2CC=CC=C2[NH2+]1.[Br-]
InChIInChI=1S/C8H9BrN2.BrH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-3,5,10H,4,6H2;1H/b7-5+;
InChIKeyFAEAORIVEDXDCV-GZOLSCHFSA-N
XLogP-2.48
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 5-2.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide?
The IUPAC name of (2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide (CID 139030572) is (2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide.
What is the SMILES notation for (2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide?
The canonical SMILES for (2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide is Br/C=C1\CN2CC=CC=C2[NH2+]1.[Br-].
What is the InChIKey of (2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide?
The InChIKey is FAEAORIVEDXDCV-GZOLSCHFSA-N. The full InChI is InChI=1S/C8H9BrN2.BrH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-3,5,10H,4,6H2;1H/b7-5+;.
What are the key properties of (2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide?
(2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide has a molecular weight of 293.99 g/mol, XLogP of -2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(bromomethylidene)-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium bromide is sourced from PubChem (CID 139030572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).