6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid

C20H20Cl2N2O2 — CID 13362099

IUPAC6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid
SMILESCc1c(-c2cccnc2)n(CCCCCC(=O)O)c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C20H20Cl2N2O2/c1-13-15-10-16(21)17(22)11-18(15)24(9-4-2-3-7-19(25)26)20(13)14-6-5-8-23-12-14/h5-6,8,10-12H,2-4,7,9H2,1H3,(H,25,26)
InChIKeyGKIMPUZJMBJZKN-UHFFFAOYSA-N
MW391.30 g/mol
LogP5.96
Rot. Bonds7

About 6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid

6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid (PubChem CID 13362099) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid
PubChem CID13362099
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid
SMILESCc1c(-c2cccnc2)n(CCCCCC(=O)O)c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C20H20Cl2N2O2/c1-13-15-10-16(21)17(22)11-18(15)24(9-4-2-3-7-19(25)26)20(13)14-6-5-8-23-12-14/h5-6,8,10-12H,2-4,7,9H2,1H3,(H,25,26)
InChIKeyGKIMPUZJMBJZKN-UHFFFAOYSA-N
XLogP5.96
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid?
The IUPAC name of 6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid (CID 13362099) is 6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid.
What is the SMILES notation for 6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid?
The canonical SMILES for 6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid is Cc1c(-c2cccnc2)n(CCCCCC(=O)O)c2cc(Cl)c(Cl)cc12.
What is the InChIKey of 6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid?
The InChIKey is GKIMPUZJMBJZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-13-15-10-16(21)17(22)11-18(15)24(9-4-2-3-7-19(25)26)20(13)14-6-5-8-23-12-14/h5-6,8,10-12H,2-4,7,9H2,1H3,(H,25,26).
What are the key properties of 6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid?
6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid has a molecular weight of 391.30 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dichloro-3-methyl-2-pyridin-3-ylindol-1-yl)hexanoic acid is sourced from PubChem (CID 13362099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).