copper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine

C15H13CuN4 — CID 140599656

IUPACcopper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine
SMILESCc1cccc(Cc2cccc(-c3ncc[n-]3)n2)n1.[Cu+]
InChIInChI=1S/C15H13N4.Cu/c1-11-4-2-5-12(18-11)10-13-6-3-7-14(19-13)15-16-8-9-17-15;/h2-9H,10H2,1H3;/q-1;+1
InChIKeyADTZZOKNUXRDCW-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.39
Rot. Bonds3

About copper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine

copper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine (PubChem CID 140599656) has the molecular formula C15H13CuN4 and a molecular weight of 312.84 g/mol. Its IUPAC name is copper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine.

Molecular Properties

Compound Namecopper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine
PubChem CID140599656
Molecular FormulaC15H13CuN4
Molecular Weight312.84 g/mol
Exact Mass312.04
IUPAC Namecopper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine
SMILESCc1cccc(Cc2cccc(-c3ncc[n-]3)n2)n1.[Cu+]
InChIInChI=1S/C15H13N4.Cu/c1-11-4-2-5-12(18-11)10-13-6-3-7-14(19-13)15-16-8-9-17-15;/h2-9H,10H2,1H3;/q-1;+1
InChIKeyADTZZOKNUXRDCW-UHFFFAOYSA-N
XLogP2.39
TPSA52.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

copper(1+);2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]benzimidazol-1-ide
CID 140599646
2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole
CID 71005817
2-methyl-6-[6-[2-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]ethyl]-2-pyridinyl]pyridine
CID 14148604
4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine
CID 19780240
2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine
CID 130153092
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
2-methyl-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 130440766
3-(6-methyl-2-pyridinyl)propanenitrile
CID 14687222
4-methyl-2-(6-propyl-2-pyridinyl)pyrimidine
CID 14253099
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109

Frequently Asked Questions

What is the IUPAC name of copper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine?
The IUPAC name of copper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine (CID 140599656) is copper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine.
What is the SMILES notation for copper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine?
The canonical SMILES for copper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine is Cc1cccc(Cc2cccc(-c3ncc[n-]3)n2)n1.[Cu+].
What is the InChIKey of copper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine?
The InChIKey is ADTZZOKNUXRDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N4.Cu/c1-11-4-2-5-12(18-11)10-13-6-3-7-14(19-13)15-16-8-9-17-15;/h2-9H,10H2,1H3;/q-1;+1.
What are the key properties of copper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine?
copper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine has a molecular weight of 312.84 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-imidazol-3-id-2-yl-6-[(6-methyl-2-pyridinyl)methyl]pyridine is sourced from PubChem (CID 140599656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).