methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate

C23H19ClN2O3 — CID 67684990

IUPACmethyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cn2c(-c3cccc(Cl)c3)cc3cc(OC)ccc32)n1
InChIInChI=1S/C23H19ClN2O3/c1-28-19-9-10-21-16(12-19)13-22(15-5-3-6-17(24)11-15)26(21)14-18-7-4-8-20(25-18)23(27)29-2/h3-13H,14H2,1-2H3
InChIKeyZCGJPBLPJNWUNB-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.20
Rot. Bonds5

About methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate

methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate (PubChem CID 67684990) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate
PubChem CID67684990
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Namemethyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cn2c(-c3cccc(Cl)c3)cc3cc(OC)ccc32)n1
InChIInChI=1S/C23H19ClN2O3/c1-28-19-9-10-21-16(12-19)13-22(15-5-3-6-17(24)11-15)26(21)14-18-7-4-8-20(25-18)23(27)29-2/h3-13H,14H2,1-2H3
InChIKeyZCGJPBLPJNWUNB-UHFFFAOYSA-N
XLogP5.20
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate
CID 67685173
methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
CID 67685081
1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone
CID 158537819
methyl 3-[(5-chloro-2-phenylindol-1-yl)methyl]benzoate
CID 67684782
6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651
ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate
CID 67684745
5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole
CID 162070992
methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate
CID 155153757
methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate
CID 67685235
6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 140631612
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methyl 3-[(5-methoxy-2-propan-2-ylindol-1-yl)methyl]benzoate
CID 67684489

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate (CID 67684990) is methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cn2c(-c3cccc(Cl)c3)cc3cc(OC)ccc32)n1.
What is the InChIKey of methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate?
The InChIKey is ZCGJPBLPJNWUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-28-19-9-10-21-16(12-19)13-22(15-5-3-6-17(24)11-15)26(21)14-18-7-4-8-20(25-18)23(27)29-2/h3-13H,14H2,1-2H3.
What are the key properties of methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate has a molecular weight of 406.87 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 67684990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).