6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

C19H19ClN2O3 — CID 68758001

IUPAC6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCOc1cc2[nH]c(C(C)C)c(Cc3cccc(C(=O)O)n3)c2cc1Cl
InChIInChI=1S/C19H19ClN2O3/c1-10(2)18-13(7-11-5-4-6-15(21-11)19(23)24)12-8-14(20)17(25-3)9-16(12)22-18/h4-6,8-10,22H,7H2,1-3H3,(H,23,24)
InChIKeyFYGRXMSYGDIPET-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.64
Rot. Bonds5

About 6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 68758001) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID68758001
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCOc1cc2[nH]c(C(C)C)c(Cc3cccc(C(=O)O)n3)c2cc1Cl
InChIInChI=1S/C19H19ClN2O3/c1-10(2)18-13(7-11-5-4-6-15(21-11)19(23)24)12-8-14(20)17(25-3)9-16(12)22-18/h4-6,8-10,22H,7H2,1-3H3,(H,23,24)
InChIKeyFYGRXMSYGDIPET-UHFFFAOYSA-N
XLogP4.64
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 69097215
6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 72950103
6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 50903301
6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 69097254
methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 68755403
6-[[6-chloro-2-(2,3-dihydrothiophen-4-yl)-5-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 90378969
6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 68755330
6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 144559991
6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 69096906
2-bromo-8-chloro-7-methoxy-5H-pyrido[3,2-b]indole-4-carboxylic acid
CID 141272477
methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097192
6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 72949581

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (CID 68758001) is 6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is COc1cc2[nH]c(C(C)C)c(Cc3cccc(C(=O)O)n3)c2cc1Cl.
What is the InChIKey of 6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is FYGRXMSYGDIPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-10(2)18-13(7-11-5-4-6-15(21-11)19(23)24)12-8-14(20)17(25-3)9-16(12)22-18/h4-6,8-10,22H,7H2,1-3H3,(H,23,24).
What are the key properties of 6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 358.83 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 68758001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).