methyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate

C17H13F2N3O2 — CID 90418053

IUPACmethyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
SMILESC=Cc1c(C(=O)OC)nc(-c2ccc3cc[nH]c3c2F)c(F)c1N
InChIInChI=1S/C17H13F2N3O2/c1-3-9-13(20)12(19)15(22-16(9)17(23)24-2)10-5-4-8-6-7-21-14(8)11(10)18/h3-7,21H,1H2,2H3,(H2,20,22)
InChIKeyFJFXCBJGUGEXTJ-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.52
Rot. Bonds3

About methyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate

methyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate (PubChem CID 90418053) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is methyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
PubChem CID90418053
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Namemethyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
SMILESC=Cc1c(C(=O)OC)nc(-c2ccc3cc[nH]c3c2F)c(F)c1N
InChIInChI=1S/C17H13F2N3O2/c1-3-9-13(20)12(19)15(22-16(9)17(23)24-2)10-5-4-8-6-7-21-14(8)11(10)18/h3-7,21H,1H2,2H3,(H2,20,22)
InChIKeyFJFXCBJGUGEXTJ-UHFFFAOYSA-N
XLogP3.52
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate (CID 90418053) is methyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate is C=Cc1c(C(=O)OC)nc(-c2ccc3cc[nH]c3c2F)c(F)c1N.
What is the InChIKey of methyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
The InChIKey is FJFXCBJGUGEXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-3-9-13(20)12(19)15(22-16(9)17(23)24-2)10-5-4-8-6-7-21-14(8)11(10)18/h3-7,21H,1H2,2H3,(H2,20,22).
What are the key properties of methyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
methyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate has a molecular weight of 329.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-ethenyl-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate is sourced from PubChem (CID 90418053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).