N-chloroalumanylaniline

C6H7AlClN — CID 173180137

IUPACN-chloroalumanylaniline
SMILESCl[AlH]Nc1ccccc1
InChIInChI=1S/C6H6N.Al.ClH.H/c7-6-4-2-1-3-5-6;;;/h1-5,7H;;1H;/q-1;+2;;/p-1
InChIKeyJUZKHHQNFVFUNL-UHFFFAOYSA-M
MW155.56 g/mol
LogP1.60
Rot. Bonds2

About N-chloroalumanylaniline

N-chloroalumanylaniline (PubChem CID 173180137) has the molecular formula C6H7AlClN and a molecular weight of 155.56 g/mol. Its IUPAC name is N-chloroalumanylaniline.

Molecular Properties

Compound NameN-chloroalumanylaniline
PubChem CID173180137
Molecular FormulaC6H7AlClN
Molecular Weight155.56 g/mol
Exact Mass155.01
IUPAC NameN-chloroalumanylaniline
SMILESCl[AlH]Nc1ccccc1
InChIInChI=1S/C6H6N.Al.ClH.H/c7-6-4-2-1-3-5-6;;;/h1-5,7H;;1H;/q-1;+2;;/p-1
InChIKeyJUZKHHQNFVFUNL-UHFFFAOYSA-M
XLogP1.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.56
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-chloroalumanylaniline?
The IUPAC name of N-chloroalumanylaniline (CID 173180137) is N-chloroalumanylaniline.
What is the SMILES notation for N-chloroalumanylaniline?
The canonical SMILES for N-chloroalumanylaniline is Cl[AlH]Nc1ccccc1.
What is the InChIKey of N-chloroalumanylaniline?
The InChIKey is JUZKHHQNFVFUNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N.Al.ClH.H/c7-6-4-2-1-3-5-6;;;/h1-5,7H;;1H;/q-1;+2;;/p-1.
What are the key properties of N-chloroalumanylaniline?
N-chloroalumanylaniline has a molecular weight of 155.56 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloroalumanylaniline is sourced from PubChem (CID 173180137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).