5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride

C15H19BrCl2N2Ru — CID 76903182

IUPAC5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
SMILESCc1ccc(C(C)C)cc1.Nc1ccc(Br)cn1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C10H14.C5H5BrN2.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;6-4-1-2-5(7)8-3-4;;;/h4-8H,1-3H3;1-3H,(H2,7,8);2*1H;/q;;;;+2/p-2
InChIKeyXWXCTWHQDAQTNM-UHFFFAOYSA-L
MW479.21 g/mol
LogP-1.45
Rot. Bonds1

About 5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride

5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride (PubChem CID 76903182) has the molecular formula C15H19BrCl2N2Ru and a molecular weight of 479.21 g/mol. Its IUPAC name is 5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride.

Molecular Properties

Compound Name5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
PubChem CID76903182
Molecular FormulaC15H19BrCl2N2Ru
Molecular Weight479.21 g/mol
Exact Mass477.92
IUPAC Name5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
SMILESCc1ccc(C(C)C)cc1.Nc1ccc(Br)cn1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C10H14.C5H5BrN2.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;6-4-1-2-5(7)8-3-4;;;/h4-8H,1-3H3;1-3H,(H2,7,8);2*1H;/q;;;;+2/p-2
InChIKeyXWXCTWHQDAQTNM-UHFFFAOYSA-L
XLogP-1.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.21
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromopyridin-2-amine;hydrochloride
CID 22615197
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine
CID 113455848
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
aniline;1-methyl-4-propan-2-ylbenzene
CID 19435769
3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol
CID 104813197
5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 62954039
formonitrile;5-methylpyridin-2-amine
CID 174974730
1-(6-amino-3-pyridinyl)ethanol;hydrobromide
CID 142775788

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride?
The IUPAC name of 5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride (CID 76903182) is 5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride.
What is the SMILES notation for 5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride?
The canonical SMILES for 5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride is Cc1ccc(C(C)C)cc1.Nc1ccc(Br)cn1.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of 5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride?
The InChIKey is XWXCTWHQDAQTNM-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H14.C5H5BrN2.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;6-4-1-2-5(7)8-3-4;;;/h4-8H,1-3H3;1-3H,(H2,7,8);2*1H;/q;;;;+2/p-2.
What are the key properties of 5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride?
5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride has a molecular weight of 479.21 g/mol, XLogP of -1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride is sourced from PubChem (CID 76903182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).