aluminum;1-butyl-2H-pyridine;trichloride

C9H15AlCl3N — CID 175194807

IUPACaluminum;1-butyl-2H-pyridine;trichloride
SMILESCCCCN1C=CC=CC1.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C9H15N.Al.3ClH/c1-2-3-7-10-8-5-4-6-9-10;;;;/h4-6,8H,2-3,7,9H2,1H3;;3*1H/q;+3;;;/p-3
InChIKeyWJKHUQNROBJSLQ-UHFFFAOYSA-K
MW270.57 g/mol
LogP-7.20
Rot. Bonds3

About aluminum;1-butyl-2H-pyridine;trichloride

aluminum;1-butyl-2H-pyridine;trichloride (PubChem CID 175194807) has the molecular formula C9H15AlCl3N and a molecular weight of 270.57 g/mol. Its IUPAC name is aluminum;1-butyl-2H-pyridine;trichloride.

Molecular Properties

Compound Namealuminum;1-butyl-2H-pyridine;trichloride
PubChem CID175194807
Molecular FormulaC9H15AlCl3N
Molecular Weight270.57 g/mol
Exact Mass269.01
IUPAC Namealuminum;1-butyl-2H-pyridine;trichloride
SMILESCCCCN1C=CC=CC1.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C9H15N.Al.3ClH/c1-2-3-7-10-8-5-4-6-9-10;;;;/h4-6,8H,2-3,7,9H2,1H3;;3*1H/q;+3;;;/p-3
InChIKeyWJKHUQNROBJSLQ-UHFFFAOYSA-K
XLogP-7.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.57
LogP ≤ 5-7.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-2H-pyridine;hydrochloride
CID 141072734
1-butyl-2H-pyridine;hydron;tetrafluoroborate
CID 174529026
1-octyl-2H-pyridine;hydrochloride
CID 69369892
1-hexyl-2H-pyridine;hydrochloride
CID 141192021
CID 175065585
CID 175065585
1-hexadecyl-2H-pyridine;nitric acid
CID 14178863
1-butyl-2H-pyridine;2-octylpyridine
CID 175452133
1-dodecyl-2H-pyridine;1-hexadecylpyridin-1-ium;bis(1-tetradecylpyridin-1-ium);dibromide;chloride;hydrochloride
CID 174994990
1-butyl-2H-pyridine;2,2,2-trifluoro-N-(trifluoromethylsulfonyl)acetamide
CID 175716542
5-(2H-pyridin-1-yl)pentanoic acid
CID 151955101
1-ethyl-2H-pyridine;tetrafluorophosphanium
CID 161069901
3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine
CID 175837017

Frequently Asked Questions

What is the IUPAC name of aluminum;1-butyl-2H-pyridine;trichloride?
The IUPAC name of aluminum;1-butyl-2H-pyridine;trichloride (CID 175194807) is aluminum;1-butyl-2H-pyridine;trichloride.
What is the SMILES notation for aluminum;1-butyl-2H-pyridine;trichloride?
The canonical SMILES for aluminum;1-butyl-2H-pyridine;trichloride is CCCCN1C=CC=CC1.[Al+3].[Cl-].[Cl-].[Cl-].
What is the InChIKey of aluminum;1-butyl-2H-pyridine;trichloride?
The InChIKey is WJKHUQNROBJSLQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H15N.Al.3ClH/c1-2-3-7-10-8-5-4-6-9-10;;;;/h4-6,8H,2-3,7,9H2,1H3;;3*1H/q;+3;;;/p-3.
What are the key properties of aluminum;1-butyl-2H-pyridine;trichloride?
aluminum;1-butyl-2H-pyridine;trichloride has a molecular weight of 270.57 g/mol, XLogP of -7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;1-butyl-2H-pyridine;trichloride is sourced from PubChem (CID 175194807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).