cobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine)

C38H44CoN8+2 — CID 140695216

IUPACcobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine)
SMILESCc1ccnc(-c2nc(-n3ncc(C)c3C)cc(C)c2C)c1C.Cc1ccnc(-c2nc(-n3ncc(C)c3C)cc(C)c2C)c1C.[Co+2]
InChIInChI=1S/2C19H22N4.Co/c2*1-11-7-8-20-18(14(11)4)19-15(5)12(2)9-17(22-19)23-16(6)13(3)10-21-23;/h2*7-10H,1-6H3;/q;;+2
InChIKeyGFNLXNFZAKMEAQ-UHFFFAOYSA-N
MW671.76 g/mol
LogP8.36
Rot. Bonds4

About cobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine)

cobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine) (PubChem CID 140695216) has the molecular formula C38H44CoN8+2 and a molecular weight of 671.76 g/mol. Its IUPAC name is cobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine).

Molecular Properties

Compound Namecobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine)
PubChem CID140695216
Molecular FormulaC38H44CoN8+2
Molecular Weight671.76 g/mol
Exact Mass671.30
IUPAC Namecobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine)
SMILESCc1ccnc(-c2nc(-n3ncc(C)c3C)cc(C)c2C)c1C.Cc1ccnc(-c2nc(-n3ncc(C)c3C)cc(C)c2C)c1C.[Co+2]
InChIInChI=1S/2C19H22N4.Co/c2*1-11-7-8-20-18(14(11)4)19-15(5)12(2)9-17(22-19)23-16(6)13(3)10-21-23;/h2*7-10H,1-6H3;/q;;+2
InChIKeyGFNLXNFZAKMEAQ-UHFFFAOYSA-N
XLogP8.36
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.76
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine)?
The IUPAC name of cobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine) (CID 140695216) is cobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine).
What is the SMILES notation for cobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine)?
The canonical SMILES for cobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine) is Cc1ccnc(-c2nc(-n3ncc(C)c3C)cc(C)c2C)c1C.Cc1ccnc(-c2nc(-n3ncc(C)c3C)cc(C)c2C)c1C.[Co+2].
What is the InChIKey of cobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine)?
The InChIKey is GFNLXNFZAKMEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H22N4.Co/c2*1-11-7-8-20-18(14(11)4)19-15(5)12(2)9-17(22-19)23-16(6)13(3)10-21-23;/h2*7-10H,1-6H3;/q;;+2.
What are the key properties of cobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine)?
cobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine) has a molecular weight of 671.76 g/mol, XLogP of 8.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(6-(4,5-dimethylpyrazol-1-yl)-2-(3,4-dimethyl-2-pyridinyl)-3,4-dimethylpyridine) is sourced from PubChem (CID 140695216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).