nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol

C22H15N2NiO- — CID 153498949

IUPACnickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol
SMILESOc1ccccc1-c1[c-]c(-c2cccc(-c3ccccn3)n2)ccc1.[Ni]
InChIInChI=1S/C22H15N2O.Ni/c25-22-13-2-1-9-18(22)16-7-5-8-17(15-16)19-11-6-12-21(24-19)20-10-3-4-14-23-20;/h1-14,25H;/q-1;
InChIKeyPUUDEUBOYPTSKN-UHFFFAOYSA-N
MW382.07 g/mol
LogP4.98
Rot. Bonds3

About nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol

nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol (PubChem CID 153498949) has the molecular formula C22H15N2NiO- and a molecular weight of 382.07 g/mol. Its IUPAC name is nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol.

Molecular Properties

Compound Namenickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol
PubChem CID153498949
Molecular FormulaC22H15N2NiO-
Molecular Weight382.07 g/mol
Exact Mass381.05
IUPAC Namenickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol
SMILESOc1ccccc1-c1[c-]c(-c2cccc(-c3ccccn3)n2)ccc1.[Ni]
InChIInChI=1S/C22H15N2O.Ni/c25-22-13-2-1-9-18(22)16-7-5-8-17(15-16)19-11-6-12-21(24-19)20-10-3-4-14-23-20;/h1-14,25H;/q-1;
InChIKeyPUUDEUBOYPTSKN-UHFFFAOYSA-N
XLogP4.98
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.07
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 44532524
3-(2-Phenyl-6-pyridin-2-yl-4-pyridinyl)phenol
CID 46887245
2-[6-(2-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091035
2-[6-(2-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091040
4-[2-[4-(4-Hydroxyphenyl)-2-pyridinyl]-4-pyridinyl]phenol
CID 137267214
2-(2-pyridin-2-yl-5H-indeno[1,2-b]pyridin-4-yl)phenol
CID 137317550
Phenol, 4-[2,2':6',2''-terpyridin]-4'-yl-
CID 135461974
2-[(E)-(5-pyridin-3-yl-2,3-dihydropyrrol-4-ylidene)methyl]phenol
CID 136244999
N-salicylidene-2-pyridylmethylamine
CID 3552663
2-((Bis(pyridin-2-ylmethyl)amino)methyl)-4-methylphenol
CID 9996071
n-(2-Hydroxybenzyl)-n,n-bis(2-pyridylmethyl)amine
CID 12101053
n,n-Bis(2-hydroxybenzyl)-2-picolylamine
CID 15301349

Frequently Asked Questions

What is the IUPAC name of nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol?
The IUPAC name of nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol (CID 153498949) is nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol.
What is the SMILES notation for nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol?
The canonical SMILES for nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol is Oc1ccccc1-c1[c-]c(-c2cccc(-c3ccccn3)n2)ccc1.[Ni].
What is the InChIKey of nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol?
The InChIKey is PUUDEUBOYPTSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N2O.Ni/c25-22-13-2-1-9-18(22)16-7-5-8-17(15-16)19-11-6-12-21(24-19)20-10-3-4-14-23-20;/h1-14,25H;/q-1;.
What are the key properties of nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol?
nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol has a molecular weight of 382.07 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol is sourced from PubChem (CID 153498949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).