6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid

C16H10FN3O2 — CID 58437340

IUPAC6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc2c(C#N)cn(-c3ccc(C(=O)O)cn3)c2cc1F
InChIInChI=1S/C16H10FN3O2/c1-9-4-12-11(6-18)8-20(14(12)5-13(9)17)15-3-2-10(7-19-15)16(21)22/h2-5,7-8H,1H3,(H,21,22)
InChIKeyLBTBKTUWUFRMJK-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.04
Rot. Bonds2

About 6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid

6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid (PubChem CID 58437340) has the molecular formula C16H10FN3O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid
PubChem CID58437340
Molecular FormulaC16H10FN3O2
Molecular Weight295.27 g/mol
Exact Mass295.08
IUPAC Name6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc2c(C#N)cn(-c3ccc(C(=O)O)cn3)c2cc1F
InChIInChI=1S/C16H10FN3O2/c1-9-4-12-11(6-18)8-20(14(12)5-13(9)17)15-3-2-10(7-19-15)16(21)22/h2-5,7-8H,1H3,(H,21,22)
InChIKeyLBTBKTUWUFRMJK-UHFFFAOYSA-N
XLogP3.04
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid (CID 58437340) is 6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid is Cc1cc2c(C#N)cn(-c3ccc(C(=O)O)cn3)c2cc1F.
What is the InChIKey of 6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is LBTBKTUWUFRMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2/c1-9-4-12-11(6-18)8-20(14(12)5-13(9)17)15-3-2-10(7-19-15)16(21)22/h2-5,7-8H,1H3,(H,21,22).
What are the key properties of 6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid?
6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 295.27 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 58437340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).