2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel

C17H21Br2N5Ni — CID 139241714

IUPAC2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel
SMILESBr[Ni]Br.Cc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1
InChIInChI=1S/C17H21N5.2BrH.Ni/c1-12-8-14(3)21(19-12)10-16-6-5-7-17(18-16)11-22-15(4)9-13(2)20-22;;;/h5-9H,10-11H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyNTTILVXXBCMAGJ-UHFFFAOYSA-L
MW513.89 g/mol
LogP4.49
Rot. Bonds4

About 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel

2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel (PubChem CID 139241714) has the molecular formula C17H21Br2N5Ni and a molecular weight of 513.89 g/mol. Its IUPAC name is 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel.

Molecular Properties

Compound Name2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel
PubChem CID139241714
Molecular FormulaC17H21Br2N5Ni
Molecular Weight513.89 g/mol
Exact Mass510.95
IUPAC Name2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel
SMILESBr[Ni]Br.Cc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1
InChIInChI=1S/C17H21N5.2BrH.Ni/c1-12-8-14(3)21(19-12)10-16-6-5-7-17(18-16)11-22-15(4)9-13(2)20-22;;;/h5-9H,10-11H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyNTTILVXXBCMAGJ-UHFFFAOYSA-L
XLogP4.49
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.89
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]pyridine
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4-[2-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine
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2-[2-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine
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2,6-Bis((3,5-bis(trifluoromethyl)-1h-pyrazol-1-yl)methyl)pyridine
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CID 10678526
2-(1-methyl-1H-pyrazol-3-yl)pyridine
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2-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]pyridine
CID 12988154
1H-Indazole, 3,3'-(2,6-pyridinediyl)bis[4,5,6,7-tetrahydro-1-methyl-
CID 5253655

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel?
The IUPAC name of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel (CID 139241714) is 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel.
What is the SMILES notation for 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel?
The canonical SMILES for 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel is Br[Ni]Br.Cc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1.
What is the InChIKey of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel?
The InChIKey is NTTILVXXBCMAGJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H21N5.2BrH.Ni/c1-12-8-14(3)21(19-12)10-16-6-5-7-17(18-16)11-22-15(4)9-13(2)20-22;;;/h5-9H,10-11H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel?
2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel has a molecular weight of 513.89 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dibromonickel is sourced from PubChem (CID 139241714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).