copper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine

C38H35CuN2O12- — CID 54736910

IUPACcopper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1cccnc1.O=C(O)c1ccccc1O.O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Cu+2]
InChIInChI=1S/C10H14N2.4C7H6O3.Cu/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;4*8-6-4-2-1-3-5(6)7(9)10;/h2,4,6,8,10H,3,5,7H2,1H3;4*1-4,8H,(H,9,10);/q;;;;;+2/p-3
InChIKeyYLBWSBIVKAPAHA-UHFFFAOYSA-K
MW775.25 g/mol
LogP4.31
Rot. Bonds5

About copper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine

copper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine (PubChem CID 54736910) has the molecular formula C38H35CuN2O12- and a molecular weight of 775.25 g/mol. Its IUPAC name is copper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Namecopper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
PubChem CID54736910
Molecular FormulaC38H35CuN2O12-
Molecular Weight775.25 g/mol
Exact Mass774.15
IUPAC Namecopper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1cccnc1.O=C(O)c1ccccc1O.O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Cu+2]
InChIInChI=1S/C10H14N2.4C7H6O3.Cu/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;4*8-6-4-2-1-3-5(6)7(9)10;/h2,4,6,8,10H,3,5,7H2,1H3;4*1-4,8H,(H,9,10);/q;;;;;+2/p-3
InChIKeyYLBWSBIVKAPAHA-UHFFFAOYSA-K
XLogP4.31
TPSA254.74 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500775.25
LogP ≤ 54.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 159601367
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hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
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3-(1-methyl(115N)azolidin-2-yl)pyridine
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bis((E)-but-2-enedioic acid);bis(3-(1-methylpyrrolidin-2-yl)pyridine)
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3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3,4,5-trihydroxybenzoic acid
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copper;3-(1-methylpyrrolidin-2-yl)pyridine;sulfate
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CID 159245541
CID 159245541

Frequently Asked Questions

What is the IUPAC name of copper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine?
The IUPAC name of copper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine (CID 54736910) is copper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for copper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine?
The canonical SMILES for copper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine is CN1CCCC1c1cccnc1.O=C(O)c1ccccc1O.O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Cu+2].
What is the InChIKey of copper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine?
The InChIKey is YLBWSBIVKAPAHA-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H14N2.4C7H6O3.Cu/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;4*8-6-4-2-1-3-5(6)7(9)10;/h2,4,6,8,10H,3,5,7H2,1H3;4*1-4,8H,(H,9,10);/q;;;;;+2/p-3.
What are the key properties of copper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine?
copper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine has a molecular weight of 775.25 g/mol, XLogP of 4.31, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tris(2-carboxyphenolate);2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 54736910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).