dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate

C53H40Cl4FI2K2N9O3 — CID 160581515

IUPACdipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate
SMILESClCc1ccc2ncc(Cl)cc2c1.Clc1cnc2ccc(Cn3cc(I)c4cnccc43)cc2c1.Clc1cnc2ccc(Cn3ccc4nccc-4c3)cc2c1.Ic1c[nH]c2ccncc12.O=CO[O-].[2H]CF.[H-].[K+].[K+]
InChIInChI=1S/C17H11ClIN3.C17H12ClN3.C10H7Cl2N.C7H5IN2.CH3F.CH2O3.2K.H/c18-13-6-12-5-11(1-2-16(12)21-7-13)9-22-10-15(19)14-8-20-4-3-17(14)22;18-15-8-14-7-12(1-2-16(14)20-9-15)10-21-6-4-17-13(11-21)3-5-19-17;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;8-6-4-10-7-1-2-9-3-5(6)7;1-2;2-1-4-3;;;/h1-8,10H,9H2;1-9,11H,10H2;1-4,6H,5H2;1-4,10H;1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1/i;;;;1D;;;;
InChIKeyCWWATROEKFVQBH-HHVZCZSDSA-M
MW1344.78 g/mol
LogP8.06
Rot. Bonds6

About dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate

dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate (PubChem CID 160581515) has the molecular formula C53H40Cl4FI2K2N9O3 and a molecular weight of 1344.78 g/mol. Its IUPAC name is dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate.

Molecular Properties

Compound Namedipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate
PubChem CID160581515
Molecular FormulaC53H40Cl4FI2K2N9O3
Molecular Weight1344.78 g/mol
Exact Mass1341.94
IUPAC Namedipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate
SMILESClCc1ccc2ncc(Cl)cc2c1.Clc1cnc2ccc(Cn3cc(I)c4cnccc43)cc2c1.Clc1cnc2ccc(Cn3ccc4nccc-4c3)cc2c1.Ic1c[nH]c2ccncc12.O=CO[O-].[2H]CF.[H-].[K+].[K+]
InChIInChI=1S/C17H11ClIN3.C17H12ClN3.C10H7Cl2N.C7H5IN2.CH3F.CH2O3.2K.H/c18-13-6-12-5-11(1-2-16(12)21-7-13)9-22-10-15(19)14-8-20-4-3-17(14)22;18-15-8-14-7-12(1-2-16(14)20-9-15)10-21-6-4-17-13(11-21)3-5-19-17;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;8-6-4-10-7-1-2-9-3-5(6)7;1-2;2-1-4-3;;;/h1-8,10H,9H2;1-9,11H,10H2;1-4,6H,5H2;1-4,10H;1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1/i;;;;1D;;;;
InChIKeyCWWATROEKFVQBH-HHVZCZSDSA-M
XLogP8.06
TPSA152.35 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001344.78
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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'}

Analyze dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate with MolForge

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Related Compounds

3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-b]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane
CID 157591933
3-chloro-6-[(4-chloro-3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine
CID 158808678
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
3-chloro-6-[(5-chloro-3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(chloromethyl)quinoline;5-chloro-3-iodo-1H-pyrrolo[2,3-c]pyridine
CID 160110486
3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-b]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[3,2-b]pyridine
CID 161896316

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate?
The IUPAC name of dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate (CID 160581515) is dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate.
What is the SMILES notation for dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate?
The canonical SMILES for dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate is ClCc1ccc2ncc(Cl)cc2c1.Clc1cnc2ccc(Cn3cc(I)c4cnccc43)cc2c1.Clc1cnc2ccc(Cn3ccc4nccc-4c3)cc2c1.Ic1c[nH]c2ccncc12.O=CO[O-].[2H]CF.[H-].[K+].[K+].
What is the InChIKey of dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate?
The InChIKey is CWWATROEKFVQBH-HHVZCZSDSA-M. The full InChI is InChI=1S/C17H11ClIN3.C17H12ClN3.C10H7Cl2N.C7H5IN2.CH3F.CH2O3.2K.H/c18-13-6-12-5-11(1-2-16(12)21-7-13)9-22-10-15(19)14-8-20-4-3-17(14)22;18-15-8-14-7-12(1-2-16(14)20-9-15)10-21-6-4-17-13(11-21)3-5-19-17;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;8-6-4-10-7-1-2-9-3-5(6)7;1-2;2-1-4-3;;;/h1-8,10H,9H2;1-9,11H,10H2;1-4,6H,5H2;1-4,10H;1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1/i;;;;1D;;;;.
What are the key properties of dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate?
dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate has a molecular weight of 1344.78 g/mol, XLogP of 8.06, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[3,2-c]pyridin-1-yl)methyl]quinoline;3-chloro-6-(pyrrolo[3,2-c]pyridin-5-ylmethyl)quinoline;deuterio(fluoro)methane;hydride;3-iodo-1H-pyrrolo[3,2-c]pyridine;oxido formate is sourced from PubChem (CID 160581515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).