(4-bromophenyl)methyl-methylidyneazanium

C8H7BrN+ — CID 123134247

IUPAC(4-bromophenyl)methyl-methylidyneazanium
SMILESC#[N+]Cc1ccc(Br)cc1
InChIInChI=1S/C8H7BrN/c1-10-6-7-2-4-8(9)5-3-7/h1-5H,6H2/q+1
InChIKeyRUEVEHYRWHIPFM-UHFFFAOYSA-N
MW197.06 g/mol
LogP2.91
Rot. Bonds1

About (4-bromophenyl)methyl-methylidyneazanium

(4-bromophenyl)methyl-methylidyneazanium (PubChem CID 123134247) has the molecular formula C8H7BrN+ and a molecular weight of 197.06 g/mol. Its IUPAC name is (4-bromophenyl)methyl-methylidyneazanium.

Molecular Properties

Compound Name(4-bromophenyl)methyl-methylidyneazanium
PubChem CID123134247
Molecular FormulaC8H7BrN+
Molecular Weight197.06 g/mol
Exact Mass195.98
IUPAC Name(4-bromophenyl)methyl-methylidyneazanium
SMILESC#[N+]Cc1ccc(Br)cc1
InChIInChI=1S/C8H7BrN/c1-10-6-7-2-4-8(9)5-3-7/h1-5H,6H2/q+1
InChIKeyRUEVEHYRWHIPFM-UHFFFAOYSA-N
XLogP2.91
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
1-bromo-4-ethylbenzene
CID 20805498
CID 11811178
CID 11811178
(4-bromophenyl)methylazanium
CID 6951353
1-bromo-4-ethylbenzene
CID 15313
1-bromo-4-(bromomethyl)benzene;hydrofluoride
CID 175432482
azane;1,4-dibromobenzene
CID 175259215
1-[(4-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 6981564
zinc;1-bromo-4-ethylbenzene;bromide
CID 175687817
[(4-bromophenyl)-dideuteriomethyl]azanium
CID 140689905
(4-bromophenyl)methyl-oxosulfanium
CID 158930689
[4-(4-bromophenyl)phenyl]methanol
CID 1393673

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-methylidyneazanium?
The IUPAC name of (4-bromophenyl)methyl-methylidyneazanium (CID 123134247) is (4-bromophenyl)methyl-methylidyneazanium.
What is the SMILES notation for (4-bromophenyl)methyl-methylidyneazanium?
The canonical SMILES for (4-bromophenyl)methyl-methylidyneazanium is C#[N+]Cc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl-methylidyneazanium?
The InChIKey is RUEVEHYRWHIPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN/c1-10-6-7-2-4-8(9)5-3-7/h1-5H,6H2/q+1.
What are the key properties of (4-bromophenyl)methyl-methylidyneazanium?
(4-bromophenyl)methyl-methylidyneazanium has a molecular weight of 197.06 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-methylidyneazanium is sourced from PubChem (CID 123134247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).