bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+)

C16H10Br2N4O4Pt — CID 91824814

IUPACbis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+)
SMILESBrc1c[nH]c2ncccc12.Brc1c[nH]c2ncccc12.O=C([O-])C(=O)[O-].[Pt+2]
InChIInChI=1S/2C7H5BrN2.C2H2O4.Pt/c2*8-6-4-10-7-5(6)2-1-3-9-7;3-1(4)2(5)6;/h2*1-4H,(H,9,10);(H,3,4)(H,5,6);/q;;;+2/p-2
InChIKeySLVZXSGYEBOWTC-UHFFFAOYSA-L
MW677.17 g/mol
LogP1.13
Rot. Bonds

About bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+)

bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+) (PubChem CID 91824814) has the molecular formula C16H10Br2N4O4Pt and a molecular weight of 677.17 g/mol. Its IUPAC name is bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+).

Molecular Properties

Compound Namebis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+)
PubChem CID91824814
Molecular FormulaC16H10Br2N4O4Pt
Molecular Weight677.17 g/mol
Exact Mass674.87
IUPAC Namebis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+)
SMILESBrc1c[nH]c2ncccc12.Brc1c[nH]c2ncccc12.O=C([O-])C(=O)[O-].[Pt+2]
InChIInChI=1S/2C7H5BrN2.C2H2O4.Pt/c2*8-6-4-10-7-5(6)2-1-3-9-7;3-1(4)2(5)6;/h2*1-4H,(H,9,10);(H,3,4)(H,5,6);/q;;;+2/p-2
InChIKeySLVZXSGYEBOWTC-UHFFFAOYSA-L
XLogP1.13
TPSA137.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500677.17
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 58512139
5-bromo-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 91620620
5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6-fluoro-pyridin-2-ylamine
CID 58259494
dicopper;bis(1H-pyrrolo[2,3-b]pyridine);tetraacetate
CID 139057716
3-[4-(5-bromopyridin-2-yl)-piperazin-1-yl]methyl-1H-pyrrolo[2,3-b]pyridine
CID 19614007
CID 21959101
CID 21959101
N-[(3-bromo-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 57619305
N-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 59506859
N-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2-pyridin-4-ylethanamine
CID 59506906
3-(6-Bromo-pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 59593271
[1-[5-bromo-3-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]carbamic acid
CID 67080966
[5-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-tert-butylcarbamic acid
CID 68934448

Frequently Asked Questions

What is the IUPAC name of bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+)?
The IUPAC name of bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+) (CID 91824814) is bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+).
What is the SMILES notation for bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+)?
The canonical SMILES for bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+) is Brc1c[nH]c2ncccc12.Brc1c[nH]c2ncccc12.O=C([O-])C(=O)[O-].[Pt+2].
What is the InChIKey of bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+)?
The InChIKey is SLVZXSGYEBOWTC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H5BrN2.C2H2O4.Pt/c2*8-6-4-10-7-5(6)2-1-3-9-7;3-1(4)2(5)6;/h2*1-4H,(H,9,10);(H,3,4)(H,5,6);/q;;;+2/p-2.
What are the key properties of bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+)?
bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+) has a molecular weight of 677.17 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+) is sourced from PubChem (CID 91824814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).