ethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate

C17H16N2O2 — CID 56850407

IUPACethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccncc3C)ccc2[nH]1
InChIInChI=1S/C17H16N2O2/c1-3-21-17(20)16-9-13-8-12(4-5-15(13)19-16)14-6-7-18-10-11(14)2/h4-10,19H,3H2,1-2H3
InChIKeyBPFTZTNLEWSFNX-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.72
Rot. Bonds3

About ethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate

ethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate (PubChem CID 56850407) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate
PubChem CID56850407
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Nameethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccncc3C)ccc2[nH]1
InChIInChI=1S/C17H16N2O2/c1-3-21-17(20)16-9-13-8-12(4-5-15(13)19-16)14-6-7-18-10-11(14)2/h4-10,19H,3H2,1-2H3
InChIKeyBPFTZTNLEWSFNX-UHFFFAOYSA-N
XLogP3.72
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate (CID 56850407) is ethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(-c3ccncc3C)ccc2[nH]1.
What is the InChIKey of ethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate?
The InChIKey is BPFTZTNLEWSFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-21-17(20)16-9-13-8-12(4-5-15(13)19-16)14-6-7-18-10-11(14)2/h4-10,19H,3H2,1-2H3.
What are the key properties of ethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate?
ethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-methyl-4-pyridinyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 56850407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).