copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene

C13H12CuN2 — CID 144914085

IUPACcopper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene
SMILESCc1ccc(-c2cc3c(cn2)CC3)nc1.[Cu]
InChIInChI=1S/C13H12N2.Cu/c1-9-2-5-12(14-7-9)13-6-10-3-4-11(10)8-15-13;/h2,5-8H,3-4H2,1H3;
InChIKeyXHFOATFPGXDDRH-UHFFFAOYSA-N
MW259.80 g/mol
LogP2.55
Rot. Bonds1

About copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene

copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 144914085) has the molecular formula C13H12CuN2 and a molecular weight of 259.80 g/mol. Its IUPAC name is copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Namecopper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene
PubChem CID144914085
Molecular FormulaC13H12CuN2
Molecular Weight259.80 g/mol
Exact Mass259.03
IUPAC Namecopper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene
SMILESCc1ccc(-c2cc3c(cn2)CC3)nc1.[Cu]
InChIInChI=1S/C13H12N2.Cu/c1-9-2-5-12(14-7-9)13-6-10-3-4-11(10)8-15-13;/h2,5-8H,3-4H2,1H3;
InChIKeyXHFOATFPGXDDRH-UHFFFAOYSA-N
XLogP2.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dichloroosmium;bis(5-methyl-2-(5-methyl-2-pyridinyl)pyridine)
CID 59404466
3-(5-methyl-2-pyridinyl)isoquinoline
CID 58382619
2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813488
5-methyl-2-[3-methyl-5-(5-methyl-2-pyridinyl)phenyl]pyridine
CID 58637248
2-(cyclopenten-1-yl)-5-methylpyridine
CID 57273992
5-methyl-2-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]pyridine
CID 171470506
2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine
CID 58261715
2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-methylpyridine
CID 71045655
2-(3-fluoro-5-methylphenyl)-5-methylpyridine
CID 147408011
5-methyl-2-(3,4,5-trifluorophenyl)pyridine
CID 168823076
5-methyl-2-[3-(4-methylphenyl)phenyl]pyridine
CID 59294838
5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157240275

Frequently Asked Questions

What is the IUPAC name of copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene (CID 144914085) is copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene is Cc1ccc(-c2cc3c(cn2)CC3)nc1.[Cu].
What is the InChIKey of copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is XHFOATFPGXDDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.Cu/c1-9-2-5-12(14-7-9)13-6-10-3-4-11(10)8-15-13;/h2,5-8H,3-4H2,1H3;.
What are the key properties of copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene?
copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 259.80 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 144914085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).