methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate

C17H16N2O2 — CID 132539705

IUPACmethyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate
SMILESCOC(=O)Cc1c(C)n(-c2ccccn2)c2ccccc12
InChIInChI=1S/C17H16N2O2/c1-12-14(11-17(20)21-2)13-7-3-4-8-15(13)19(12)16-9-5-6-10-18-16/h3-10H,11H2,1-2H3
InChIKeyWOBWBHZPJIDALE-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.05
Rot. Bonds3

About methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate

methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate (PubChem CID 132539705) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate
PubChem CID132539705
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate
SMILESCOC(=O)Cc1c(C)n(-c2ccccn2)c2ccccc12
InChIInChI=1S/C17H16N2O2/c1-12-14(11-17(20)21-2)13-7-3-4-8-15(13)19(12)16-9-5-6-10-18-16/h3-10H,11H2,1-2H3
InChIKeyWOBWBHZPJIDALE-UHFFFAOYSA-N
XLogP3.05
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate (CID 132539705) is methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate is COC(=O)Cc1c(C)n(-c2ccccn2)c2ccccc12.
What is the InChIKey of methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate?
The InChIKey is WOBWBHZPJIDALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-14(11-17(20)21-2)13-7-3-4-8-15(13)19(12)16-9-5-6-10-18-16/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate?
methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate has a molecular weight of 280.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate is sourced from PubChem (CID 132539705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).