bis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate

C36H32N4O12Rh2 — CID 139156752

IUPACbis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=C(O)c1cccc(-c2c[nH]c3ncccc23)c1.O=C(O)c1cccc(-c2c[nH]c3ncccc23)c1.[Rh+2].[Rh+2]
InChIInChI=1S/2C14H10N2O2.4C2H4O2.2Rh/c2*17-14(18)10-4-1-3-9(7-10)12-8-16-13-11(12)5-2-6-15-13;4*1-2(3)4;;/h2*1-8H,(H,15,16)(H,17,18);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4
InChIKeySDNMRZNBPJRFAJ-UHFFFAOYSA-J
MW918.48 g/mol
LogP0.88
Rot. Bonds4

About bis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate

bis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate (PubChem CID 139156752) has the molecular formula C36H32N4O12Rh2 and a molecular weight of 918.48 g/mol. Its IUPAC name is bis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate.

Molecular Properties

Compound Namebis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate
PubChem CID139156752
Molecular FormulaC36H32N4O12Rh2
Molecular Weight918.48 g/mol
Exact Mass918.01
IUPAC Namebis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=C(O)c1cccc(-c2c[nH]c3ncccc23)c1.O=C(O)c1cccc(-c2c[nH]c3ncccc23)c1.[Rh+2].[Rh+2]
InChIInChI=1S/2C14H10N2O2.4C2H4O2.2Rh/c2*17-14(18)10-4-1-3-9(7-10)12-8-16-13-11(12)5-2-6-15-13;4*1-2(3)4;;/h2*1-8H,(H,15,16)(H,17,18);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4
InChIKeySDNMRZNBPJRFAJ-UHFFFAOYSA-J
XLogP0.88
TPSA292.48 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.48
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

Gsk-650394
CID 25022668
4-{5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}benzoic acid
CID 11544170
2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45270042
3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 11953130
2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45271705
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-propan-2-ylbenzoic acid
CID 68778271
2-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 68778433
4-[5-[3-(2-aminoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 44529938
2-methyl-4-(5-quinolin-5-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 44529964
4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 44529972
4-[5-[6-(3-aminopropanoylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 44530160
2-fluoro-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 137646065

Frequently Asked Questions

What is the IUPAC name of bis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate?
The IUPAC name of bis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate (CID 139156752) is bis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate.
What is the SMILES notation for bis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate?
The canonical SMILES for bis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=C(O)c1cccc(-c2c[nH]c3ncccc23)c1.O=C(O)c1cccc(-c2c[nH]c3ncccc23)c1.[Rh+2].[Rh+2].
What is the InChIKey of bis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate?
The InChIKey is SDNMRZNBPJRFAJ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C14H10N2O2.4C2H4O2.2Rh/c2*17-14(18)10-4-1-3-9(7-10)12-8-16-13-11(12)5-2-6-15-13;4*1-2(3)4;;/h2*1-8H,(H,15,16)(H,17,18);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4.
What are the key properties of bis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate?
bis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate has a molecular weight of 918.48 g/mol, XLogP of 0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid);bis(rhodium(2+));tetraacetate is sourced from PubChem (CID 139156752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).