methyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate

C15H11FN2O2 — CID 175668754

IUPACmethyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccncc2)[nH]c2c(F)cccc12
InChIInChI=1S/C15H11FN2O2/c1-20-15(19)12-10-3-2-4-11(16)14(10)18-13(12)9-5-7-17-8-6-9/h2-8,18H,1H3
InChIKeyGUJYSYCDAJHMEK-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.16
Rot. Bonds2

About methyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate

methyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate (PubChem CID 175668754) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is methyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate
PubChem CID175668754
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Namemethyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccncc2)[nH]c2c(F)cccc12
InChIInChI=1S/C15H11FN2O2/c1-20-15(19)12-10-3-2-4-11(16)14(10)18-13(12)9-5-7-17-8-6-9/h2-8,18H,1H3
InChIKeyGUJYSYCDAJHMEK-UHFFFAOYSA-N
XLogP3.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate?
The IUPAC name of methyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate (CID 175668754) is methyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate is COC(=O)c1c(-c2ccncc2)[nH]c2c(F)cccc12.
What is the InChIKey of methyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate?
The InChIKey is GUJYSYCDAJHMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-20-15(19)12-10-3-2-4-11(16)14(10)18-13(12)9-5-7-17-8-6-9/h2-8,18H,1H3.
What are the key properties of methyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate?
methyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate has a molecular weight of 270.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-2-pyridin-4-yl-1H-indole-3-carboxylate is sourced from PubChem (CID 175668754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).