cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)

C28H30CoN10+2 — CID 140695209

IUPACcobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)
SMILESCc1cc(-n2cc(C)cn2)nc(-n2cc(C)cn2)c1.Cc1cc(-n2cc(C)cn2)nc(-n2cc(C)cn2)c1.[Co+2]
InChIInChI=1S/2C14H15N5.Co/c2*1-10-4-13(18-8-11(2)6-15-18)17-14(5-10)19-9-12(3)7-16-19;/h2*4-9H,1-3H3;/q;;+2
InChIKeyNXTVPJIFSKURIR-UHFFFAOYSA-N
MW565.55 g/mol
LogP4.75
Rot. Bonds4

About cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)

cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine) (PubChem CID 140695209) has the molecular formula C28H30CoN10+2 and a molecular weight of 565.55 g/mol. Its IUPAC name is cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine).

Molecular Properties

Compound Namecobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)
PubChem CID140695209
Molecular FormulaC28H30CoN10+2
Molecular Weight565.55 g/mol
Exact Mass565.20
IUPAC Namecobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)
SMILESCc1cc(-n2cc(C)cn2)nc(-n2cc(C)cn2)c1.Cc1cc(-n2cc(C)cn2)nc(-n2cc(C)cn2)c1.[Co+2]
InChIInChI=1S/2C14H15N5.Co/c2*1-10-4-13(18-8-11(2)6-15-18)17-14(5-10)19-9-12(3)7-16-19;/h2*4-9H,1-3H3;/q;;+2
InChIKeyNXTVPJIFSKURIR-UHFFFAOYSA-N
XLogP4.75
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.55
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
CID 80852989
4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine
CID 115417252
ethane;5-methyl-2-(4-methylpyrazol-1-yl)pyridine
CID 144804358
[4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567659
[6-(4-methylpyrazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721177
2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid
CID 60874419
ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole
CID 145347331
5-chloro-2-(4-methylpyrazol-1-yl)pyridine
CID 66233680
2-cyclopropyl-N-ethyl-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 80965817
2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid
CID 113379579
[6-(4-methylpyrazol-1-yl)-2-pyridinyl]methanol
CID 62253586
2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine
CID 62239528

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)?
The IUPAC name of cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine) (CID 140695209) is cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine).
What is the SMILES notation for cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)?
The canonical SMILES for cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine) is Cc1cc(-n2cc(C)cn2)nc(-n2cc(C)cn2)c1.Cc1cc(-n2cc(C)cn2)nc(-n2cc(C)cn2)c1.[Co+2].
What is the InChIKey of cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)?
The InChIKey is NXTVPJIFSKURIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H15N5.Co/c2*1-10-4-13(18-8-11(2)6-15-18)17-14(5-10)19-9-12(3)7-16-19;/h2*4-9H,1-3H3;/q;;+2.
What are the key properties of cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)?
cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine) has a molecular weight of 565.55 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine) is sourced from PubChem (CID 140695209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).