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

C17H15FN2O2 — CID 134843905

IUPACethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2n1-c1cc(C)ccn1
InChIInChI=1S/C17H15FN2O2/c1-3-22-17(21)15-10-12-9-13(18)4-5-14(12)20(15)16-8-11(2)6-7-19-16/h4-10H,3H2,1-2H3
InChIKeyYOAUQDLUMOPNMT-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.65
Rot. Bonds3

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

ethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate (PubChem CID 134843905) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is ethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate
PubChem CID134843905
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Nameethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2n1-c1cc(C)ccn1
InChIInChI=1S/C17H15FN2O2/c1-3-22-17(21)15-10-12-9-13(18)4-5-14(12)20(15)16-8-11(2)6-7-19-16/h4-10H,3H2,1-2H3
InChIKeyYOAUQDLUMOPNMT-UHFFFAOYSA-N
XLogP3.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate?
The IUPAC name of ethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate (CID 134843905) is ethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate?
The canonical SMILES for ethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate is CCOC(=O)c1cc2cc(F)ccc2n1-c1cc(C)ccn1.
What is the InChIKey of ethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate?
The InChIKey is YOAUQDLUMOPNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-3-22-17(21)15-10-12-9-13(18)4-5-14(12)20(15)16-8-11(2)6-7-19-16/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate?
ethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate has a molecular weight of 298.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate is sourced from PubChem (CID 134843905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).