chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate

C24H23CrN4O12 — CID 139074502

IUPACchromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate
SMILESO.O.O.O.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Cr+3].c1cc(-c2cc[nH+]cc2)ccn1
InChIInChI=1S/C10H8N2.2C7H5NO4.Cr.4H2O/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*9-6(10)4-2-1-3-5(8-4)7(11)12;;;;;/h1-8H;2*1-3H,(H,9,10)(H,11,12);;4*1H2/q;;;+3;;;;/p-3
InChIKeyURFOVWQUJZLNKY-UHFFFAOYSA-K
MW611.46 g/mol
LogP-6.12
Rot. Bonds5

About chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate

chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate (PubChem CID 139074502) has the molecular formula C24H23CrN4O12 and a molecular weight of 611.46 g/mol. Its IUPAC name is chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate.

Molecular Properties

Compound Namechromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate
PubChem CID139074502
Molecular FormulaC24H23CrN4O12
Molecular Weight611.46 g/mol
Exact Mass611.07
IUPAC Namechromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate
SMILESO.O.O.O.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Cr+3].c1cc(-c2cc[nH+]cc2)ccn1
InChIInChI=1S/C10H8N2.2C7H5NO4.Cr.4H2O/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*9-6(10)4-2-1-3-5(8-4)7(11)12;;;;;/h1-8H;2*1-3H,(H,9,10)(H,11,12);;4*1H2/q;;;+3;;;;/p-3
InChIKeyURFOVWQUJZLNKY-UHFFFAOYSA-K
XLogP-6.12
TPSA339.33 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.46
LogP ≤ 5-6.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(6-[6-carboxylato-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylate);terbium(3+);triethylazanium
CID 139159726
Ru(II)(bda)(isoq)2
CID 56835789
Ru(II)(bda)(pic)2
CID 56835790
Ru2-bda-N2
CID 138455538
[Ru(III)(bda)(pic)2][PF6]
CID 138455539
Ru(II)(bda)(pic)2NH3
CID 138455540
[Ru(III)(bda)(pic)2NH3][PF6]
CID 138455541
2-(2-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato-kappa^2^O^2^,O^6^)iron(III) trihydrate
CID 139068726
Piperazinediium bis(pyridine-2,6-dicarboxylato)manganate(II) hexahydrate
CID 139070232
Piperazinediium bis(pyridine-2,6-dicarboxylato)nickelate(II) tetrahydrate
CID 139072196
Piperazinediium bis[bis(pyridine-2,6-dicarboxylato)ferrate(III)] monohydrate
CID 139073635
Butane-1,4-diammonium bis(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate
CID 139074647

Frequently Asked Questions

What is the IUPAC name of chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate?
The IUPAC name of chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate (CID 139074502) is chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate.
What is the SMILES notation for chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate?
The canonical SMILES for chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate is O.O.O.O.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Cr+3].c1cc(-c2cc[nH+]cc2)ccn1.
What is the InChIKey of chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate?
The InChIKey is URFOVWQUJZLNKY-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H8N2.2C7H5NO4.Cr.4H2O/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*9-6(10)4-2-1-3-5(8-4)7(11)12;;;;;/h1-8H;2*1-3H,(H,9,10)(H,11,12);;4*1H2/q;;;+3;;;;/p-3.
What are the key properties of chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate?
chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate has a molecular weight of 611.46 g/mol, XLogP of -6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);bis(pyridine-2,6-dicarboxylate);4-pyridin-1-ium-4-ylpyridine;tetrahydrate is sourced from PubChem (CID 139074502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).