1-ethylpyridin-4-imine bromide

C7H10BrN2- — CID 53313849

IUPAC1-ethylpyridin-4-imine bromide
SMILES[Br-].[H]N=c1ccn(CC)cc1
InChIInChI=1S/C7H10N2.BrH/c1-2-9-5-3-7(8)4-6-9;/h3-6,8H,2H2,1H3;1H/p-1
InChIKeyBWALSTLWHKQMNF-UHFFFAOYSA-M
MW202.08 g/mol
LogP-2.01
Rot. Bonds1

About 1-ethylpyridin-4-imine bromide

1-ethylpyridin-4-imine bromide (PubChem CID 53313849) has the molecular formula C7H10BrN2- and a molecular weight of 202.08 g/mol. Its IUPAC name is 1-ethylpyridin-4-imine bromide.

Molecular Properties

Compound Name1-ethylpyridin-4-imine bromide
PubChem CID53313849
Molecular FormulaC7H10BrN2-
Molecular Weight202.08 g/mol
Exact Mass201.00
IUPAC Name1-ethylpyridin-4-imine bromide
SMILES[Br-].[H]N=c1ccn(CC)cc1
InChIInChI=1S/C7H10N2.BrH/c1-2-9-5-3-7(8)4-6-9;/h3-6,8H,2H2,1H3;1H/p-1
InChIKeyBWALSTLWHKQMNF-UHFFFAOYSA-M
XLogP-2.01
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 5-2.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethylpyridin-4(1H)-imine hydrobromide
CID 6603238
1-methylpyridin-4(1H)-imine
CID 817189
1-Methylpyridin-4-imine;hydroiodide
CID 45926723
1-ethylpyridin-4(1H)-imine
CID 657409
2-(4-Imino-1-pyridinyl)acetonitrile;hydrochloride
CID 90654306
N,1-dimethylpyridin-4-imine;hydroiodide
CID 45260548
1-butylpyridin-4(1H)-imine
CID 1827817
1-methyl-N-propan-2-ylpyridin-4-imine
CID 25265946
N,1-dimethylpyridin-4-imine
CID 44303848
(E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine
CID 135268079
1-propylpyridin-4(1H)-imine
CID 689770
1-Ethylpyridin-4-imine;hydron;bromide
CID 657408

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyridin-4-imine bromide?
The IUPAC name of 1-ethylpyridin-4-imine bromide (CID 53313849) is 1-ethylpyridin-4-imine bromide.
What is the SMILES notation for 1-ethylpyridin-4-imine bromide?
The canonical SMILES for 1-ethylpyridin-4-imine bromide is [Br-].[H]N=c1ccn(CC)cc1.
What is the InChIKey of 1-ethylpyridin-4-imine bromide?
The InChIKey is BWALSTLWHKQMNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N2.BrH/c1-2-9-5-3-7(8)4-6-9;/h3-6,8H,2H2,1H3;1H/p-1.
What are the key properties of 1-ethylpyridin-4-imine bromide?
1-ethylpyridin-4-imine bromide has a molecular weight of 202.08 g/mol, XLogP of -2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyridin-4-imine bromide is sourced from PubChem (CID 53313849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).