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

C17H21Cl2N5Ni — CID 139241716

IUPAC2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dichloronickel
SMILESCc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1.Cl[Ni]Cl
InChIInChI=1S/C17H21N5.2ClH.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
InChIKeyCMVUWKHQSOIAAQ-UHFFFAOYSA-L
MW424.99 g/mol
LogP4.18
Rot. Bonds4

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

2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dichloronickel (PubChem CID 139241716) has the molecular formula C17H21Cl2N5Ni and a molecular weight of 424.99 g/mol. Its IUPAC name is 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dichloronickel.

Molecular Properties

Compound Name2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dichloronickel
PubChem CID139241716
Molecular FormulaC17H21Cl2N5Ni
Molecular Weight424.99 g/mol
Exact Mass423.05
IUPAC Name2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dichloronickel
SMILESCc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1.Cl[Ni]Cl
InChIInChI=1S/C17H21N5.2ClH.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
InChIKeyCMVUWKHQSOIAAQ-UHFFFAOYSA-L
XLogP4.18
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.99
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methylpyridin-2-yl)-3-p-tolyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992749
2-(6-Methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813491
2-[2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]pyridine
CID 53577686
4-[2-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine
CID 53617486
2-[2-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine
CID 56781090
2-[2-[(1-Ethyl-5-methylpyrazol-3-yl)methyl]tetrazol-5-yl]pyridine
CID 168277314
2,6-Bis((3,5-bis(trifluoromethyl)-1h-pyrazol-1-yl)methyl)pyridine
CID 122630463
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine
CID 134795374
(Pyrazol-1-ylmethyl)pyridine
CID 10678526
2-(1-methyl-1H-pyrazol-3-yl)pyridine
CID 12106403
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;dichloronickel?
The IUPAC name of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dichloronickel (CID 139241716) is 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dichloronickel.
What is the SMILES notation for 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dichloronickel?
The canonical SMILES for 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dichloronickel is Cc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1.Cl[Ni]Cl.
What is the InChIKey of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dichloronickel?
The InChIKey is CMVUWKHQSOIAAQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H21N5.2ClH.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;dichloronickel?
2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dichloronickel has a molecular weight of 424.99 g/mol, XLogP of 4.18, 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;dichloronickel is sourced from PubChem (CID 139241716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).