4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide)

C86H78Cl5N11O17S5 — CID 162212249

IUPAC4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide)
SMILESCCOC(=O)C=Cc1cc2c(Cl)nccc2n1-c1ccccc1.CCOC(=O)CCc1cc2c(Cl)nccc2n1-c1ccccc1.Clc1nccc2c1cc(CCCN1CCOCC1)n2-c1ccccc1.O=Cc1cc2c(Cl)nccc2n1-c1ccccc1.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.OCCCc1cc2c(Cl)nccc2n1-c1ccccc1
InChIInChI=1S/C20H22ClN3O.C18H17ClN2O2.C18H15ClN2O2.C16H15ClN2O.C14H9ClN2O.5O2S/c21-20-18-15-17(7-4-10-23-11-13-25-14-12-23)24(19(18)8-9-22-20)16-5-2-1-3-6-16;2*1-2-23-17(22)9-8-14-12-15-16(10-11-20-18(15)19)21(14)13-6-4-3-5-7-13;17-16-14-11-13(7-4-10-20)19(15(14)8-9-18-16)12-5-2-1-3-6-12;15-14-12-8-11(9-18)17(13(12)6-7-16-14)10-4-2-1-3-5-10;5*1-3-2/h1-3,5-6,8-9,15H,4,7,10-14H2;3-7,10-12H,2,8-9H2,1H3;3-12H,2H2,1H3;1-3,5-6,8-9,11,20H,4,7,10H2;1-9H;;;;;
InChIKeyZSZTZTKIQFAYNY-UHFFFAOYSA-N
MW1875.23 g/mol
LogP16.12
Rot. Bonds20

About 4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide)

4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide) (PubChem CID 162212249) has the molecular formula C86H78Cl5N11O17S5 and a molecular weight of 1875.23 g/mol. Its IUPAC name is 4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide).

Molecular Properties

Compound Name4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide)
PubChem CID162212249
Molecular FormulaC86H78Cl5N11O17S5
Molecular Weight1875.23 g/mol
Exact Mass1871.26
IUPAC Name4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide)
SMILESCCOC(=O)C=Cc1cc2c(Cl)nccc2n1-c1ccccc1.CCOC(=O)CCc1cc2c(Cl)nccc2n1-c1ccccc1.Clc1nccc2c1cc(CCCN1CCOCC1)n2-c1ccccc1.O=Cc1cc2c(Cl)nccc2n1-c1ccccc1.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.OCCCc1cc2c(Cl)nccc2n1-c1ccccc1
InChIInChI=1S/C20H22ClN3O.C18H17ClN2O2.C18H15ClN2O2.C16H15ClN2O.C14H9ClN2O.5O2S/c21-20-18-15-17(7-4-10-23-11-13-25-14-12-23)24(19(18)8-9-22-20)16-5-2-1-3-6-16;2*1-2-23-17(22)9-8-14-12-15-16(10-11-20-18(15)19)21(14)13-6-4-3-5-7-13;17-16-14-11-13(7-4-10-20)19(15(14)8-9-18-16)12-5-2-1-3-6-12;15-14-12-8-11(9-18)17(13(12)6-7-16-14)10-4-2-1-3-5-10;5*1-3-2/h1-3,5-6,8-9,15H,4,7,10-14H2;3-7,10-12H,2,8-9H2,1H3;3-12H,2H2,1H3;1-3,5-6,8-9,11,20H,4,7,10H2;1-9H;;;;;
InChIKeyZSZTZTKIQFAYNY-UHFFFAOYSA-N
XLogP16.12
TPSA362.17 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001875.23
LogP ≤ 516.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide) with MolForge

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Related Compounds

4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide)
CID 158209490
4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 158472513
4-chloro-2-(2-methoxyethenyl)-6-methyl-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-6-methyl-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-6-methyl-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-6-methyl-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;(4-chloro-6-methyl-1-phenylpyrrolo[3,2-c]pyridin-2-yl)methanol;methyl 1-chloro-3-methyl-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-6-methyl-1-phenylpyrrolo[3,2-c]pyridine-2-carboxylate;hexakis(sulfur dioxide)
CID 160145237
Cyclopenta-1,3-diene;ethyl 3-bromo-1-(4-hydroxybutyl)pyrrolo[3,2-c]pyridine-6-carboxylate;ethyl 4-chloro-1-(4-hydroxybutyl)-3-methylpyrrolo[3,2-c]pyridine-6-carboxylate;ethyl 1-(4-hydroxybutyl)-3-methyl-5-oxidopyrrolo[3,2-c]pyridin-5-ium-6-carboxylate;ethyl 1-(4-hydroxybutyl)-3-methylpyrrolo[3,2-c]pyridine-6-carboxylate;ethyl 1-(4-hydroxybutyl)pyrrolo[3,2-c]pyridine-6-carboxylate;4-pyrrol-1-ylbutan-1-ol
CID 161483083

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide)?
The IUPAC name of 4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide) (CID 162212249) is 4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide).
What is the SMILES notation for 4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide)?
The canonical SMILES for 4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide) is CCOC(=O)C=Cc1cc2c(Cl)nccc2n1-c1ccccc1.CCOC(=O)CCc1cc2c(Cl)nccc2n1-c1ccccc1.Clc1nccc2c1cc(CCCN1CCOCC1)n2-c1ccccc1.O=Cc1cc2c(Cl)nccc2n1-c1ccccc1.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.OCCCc1cc2c(Cl)nccc2n1-c1ccccc1.
What is the InChIKey of 4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide)?
The InChIKey is ZSZTZTKIQFAYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O.C18H17ClN2O2.C18H15ClN2O2.C16H15ClN2O.C14H9ClN2O.5O2S/c21-20-18-15-17(7-4-10-23-11-13-25-14-12-23)24(19(18)8-9-22-20)16-5-2-1-3-6-16;2*1-2-23-17(22)9-8-14-12-15-16(10-11-20-18(15)19)21(14)13-6-4-3-5-7-13;17-16-14-11-13(7-4-10-20)19(15(14)8-9-18-16)12-5-2-1-3-6-12;15-14-12-8-11(9-18)17(13(12)6-7-16-14)10-4-2-1-3-5-10;5*1-3-2/h1-3,5-6,8-9,15H,4,7,10-14H2;3-7,10-12H,2,8-9H2,1H3;3-12H,2H2,1H3;1-3,5-6,8-9,11,20H,4,7,10H2;1-9H;;;;;.
What are the key properties of 4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide)?
4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide) has a molecular weight of 1875.23 g/mol, XLogP of 16.12, 20 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propan-1-ol;4-[3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propyl]morpholine;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)propanoate;ethyl 3-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)prop-2-enoate;pentakis(sulfur dioxide) is sourced from PubChem (CID 162212249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).