dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate

C37H23Cl3I2K2N8O3 — CID 159828900

About dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate

dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate (PubChem CID 159828900) has the molecular formula C37H23Cl3I2K2N8O3 and a molecular weight of 1066.01 g/mol. Its IUPAC name is dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate.

Molecular Properties

• Compound Name: dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate
• PubChem CID: 159828900
• Molecular Formula: C37H23Cl3I2K2N8O3
• Molecular Weight: 1066.01 g/mol
• Exact Mass: 1063.83
• IUPAC Name: dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate
• SMILES: ClCc1ccc2ncc(Cl)cc2c1.N#Cc1nccc2[nH]cc(I)c12.N#Cc1nccc2c1c(I)cn2Cc1ccc2ncc(Cl)cc2c1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C18H10ClIN4.C10H7Cl2N.C8H4IN3.CH2O3.2K.H/c19-13-6-12-5-11(1-2-15(12)23-8-13)9-24-10-14(20)18-16(7-21)22-4-3-17(18)24;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;9-5-4-12-6-1-2-11-7(3-10)8(5)6;2-1-4-3;;;/h1-6,8,10H,9H2;1-4,6H,5H2;1-2,4,12H;1,3H;;;/q;;;;2*+1;-1/p-1
• InChIKey: CVAFCVABOFJXNL-UHFFFAOYSA-M
• XLogP: 2.98
• TPSA: 169.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1066.01
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate?

The IUPAC name of dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate (CID 159828900) is dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate.

What is the SMILES notation for dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate?

The canonical SMILES for dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate is ClCc1ccc2ncc(Cl)cc2c1.N#Cc1nccc2[nH]cc(I)c12.N#Cc1nccc2c1c(I)cn2Cc1ccc2ncc(Cl)cc2c1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate?

The InChIKey is CVAFCVABOFJXNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H10ClIN4.C10H7Cl2N.C8H4IN3.CH2O3.2K.H/c19-13-6-12-5-11(1-2-15(12)23-8-13)9-24-10-14(20)18-16(7-21)22-4-3-17(18)24;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;9-5-4-12-6-1-2-11-7(3-10)8(5)6;2-1-4-3;;;/h1-6,8,10H,9H2;1-4,6H,5H2;1-2,4,12H;1,3H;;;/q;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate?

dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate has a molecular weight of 1066.01 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;3-chloro-6-(chloromethyl)quinoline;1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[3,2-c]pyridine-4-carbonitrile;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;oxido formate is sourced from PubChem (CID 159828900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).