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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Related Compounds

5-cyclopropyl-2-((1-phenyl-1H-indol-5-yl)amino)nicotinic acid
CID 90152575
6-[2-Ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]indol-1-yl]pyridine-3-carboxylic acid
CID 25024651
2-[3-Cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid
CID 51353192
4-(3-Cyano-6-fluoro-5-methylindol-1-yl)benzoic acid
CID 58437268
6-(3-Cyanoindol-1-yl)pyridine-3-carboxylic acid
CID 58437366
6-(3-Cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid
CID 58437479
6-(3-Cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid
CID 59477747
6-[3-[[2-Chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]pyridine-3-carboxylic acid
CID 132017136
6-[3-[[2-Chloro-6-(trifluoromethyl)phenyl]methyl]-7-fluoro-indol-1-yl]pyridine-3-carboxylic acid
CID 132017229
9-[(4-Fluorophenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylic acid
CID 168283423
(E)-2-cyano-3-(1-pyridin-2-ylindol-3-yl)prop-2-enoic acid
CID 171356722
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 1485634

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).