5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde

C91H94Br2Cl5N13O6Si2 — CID 159960342

IUPAC5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(C(=O)Nc3ccc(Cl)cc3)nc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cccnc21.Nc1ccc(Cl)cc1.O=C(Cc1ccc(Cl)cc1)c1ccc(Br)cn1.O=C(Cl)c1ccc(Br)cn1.O=C(Nc1ccc(Cl)cc1)c1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C29H35ClN4O2Si.C20H15ClN4O.C17H26N2OSi.C13H9BrClNO.C6H3BrClNO.C6H6ClN/c1-18(2)37(19(3)4,20(5)6)34-17-25(24-8-7-15-31-28(24)34)27(35)21-9-14-26(32-16-21)29(36)33-23-12-10-22(30)11-13-23;21-15-4-6-16(7-5-15)25-20(26)18-8-3-13(11-23-18)10-14-12-24-19-17(14)2-1-9-22-19;1-12(2)21(13(3)4,14(5)6)19-10-15(11-20)16-8-7-9-18-17(16)19;14-10-3-6-12(16-8-10)13(17)7-9-1-4-11(15)5-2-9;7-4-1-2-5(6(8)10)9-3-4;7-5-1-3-6(8)4-2-5/h7-20,27,35H,1-6H3,(H,33,36);1-9,11-12H,10H2,(H,22,24)(H,25,26);7-14H,1-6H3;1-6,8H,7H2;1-3H;1-4H,8H2
InChIKeyODGAONFTSLSEFE-UHFFFAOYSA-N
MW1859.08 g/mol
LogP24.84
Rot. Bonds21

About 5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde

5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 159960342) has the molecular formula C91H94Br2Cl5N13O6Si2 and a molecular weight of 1859.08 g/mol. Its IUPAC name is 5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID159960342
Molecular FormulaC91H94Br2Cl5N13O6Si2
Molecular Weight1859.08 g/mol
Exact Mass1853.38
IUPAC Name5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(C(=O)Nc3ccc(Cl)cc3)nc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cccnc21.Nc1ccc(Cl)cc1.O=C(Cc1ccc(Cl)cc1)c1ccc(Br)cn1.O=C(Cl)c1ccc(Br)cn1.O=C(Nc1ccc(Cl)cc1)c1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C29H35ClN4O2Si.C20H15ClN4O.C17H26N2OSi.C13H9BrClNO.C6H3BrClNO.C6H6ClN/c1-18(2)37(19(3)4,20(5)6)34-17-25(24-8-7-15-31-28(24)34)27(35)21-9-14-26(32-16-21)29(36)33-23-12-10-22(30)11-13-23;21-15-4-6-16(7-5-15)25-20(26)18-8-3-13(11-23-18)10-14-12-24-19-17(14)2-1-9-22-19;1-12(2)21(13(3)4,14(5)6)19-10-15(11-20)16-8-7-9-18-17(16)19;14-10-3-6-12(16-8-10)13(17)7-9-1-4-11(15)5-2-9;7-4-1-2-5(6(8)10)9-3-4;7-5-1-3-6(8)4-2-5/h7-20,27,35H,1-6H3,(H,33,36);1-9,11-12H,10H2,(H,22,24)(H,25,26);7-14H,1-6H3;1-6,8H,7H2;1-3H;1-4H,8H2
InChIKeyODGAONFTSLSEFE-UHFFFAOYSA-N
XLogP24.84
TPSA271.54 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001859.08
LogP ≤ 524.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 159960342) is 5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde is CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(C(=O)Nc3ccc(Cl)cc3)nc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cccnc21.Nc1ccc(Cl)cc1.O=C(Cc1ccc(Cl)cc1)c1ccc(Br)cn1.O=C(Cl)c1ccc(Br)cn1.O=C(Nc1ccc(Cl)cc1)c1ccc(Cc2c[nH]c3ncccc23)cn1.
What is the InChIKey of 5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is ODGAONFTSLSEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN4O2Si.C20H15ClN4O.C17H26N2OSi.C13H9BrClNO.C6H3BrClNO.C6H6ClN/c1-18(2)37(19(3)4,20(5)6)34-17-25(24-8-7-15-31-28(24)34)27(35)21-9-14-26(32-16-21)29(36)33-23-12-10-22(30)11-13-23;21-15-4-6-16(7-5-15)25-20(26)18-8-3-13(11-23-18)10-14-12-24-19-17(14)2-1-9-22-19;1-12(2)21(13(3)4,14(5)6)19-10-15(11-20)16-8-7-9-18-17(16)19;14-10-3-6-12(16-8-10)13(17)7-9-1-4-11(15)5-2-9;7-4-1-2-5(6(8)10)9-3-4;7-5-1-3-6(8)4-2-5/h7-20,27,35H,1-6H3,(H,33,36);1-9,11-12H,10H2,(H,22,24)(H,25,26);7-14H,1-6H3;1-6,8H,7H2;1-3H;1-4H,8H2.
What are the key properties of 5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 1859.08 g/mol, XLogP of 24.84, 21 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridine-2-carbonyl chloride;1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)ethanone;4-chloroaniline;N-(4-chlorophenyl)-5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridine-2-carboxamide;N-(4-chlorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridine-2-carboxamide;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 159960342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).