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

C16H11N3O2 — CID 58437479

IUPAC6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid
SMILESCc1ccc2c(c1)c(C#N)cn2-c1ccc(C(=O)O)cn1
InChIInChI=1S/C16H11N3O2/c1-10-2-4-14-13(6-10)12(7-17)9-19(14)15-5-3-11(8-18-15)16(20)21/h2-6,8-9H,1H3,(H,20,21)
InChIKeyISIFLQZMCCXFOA-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.90
Rot. Bonds2

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

6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid (PubChem CID 58437479) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid
PubChem CID58437479
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid
SMILESCc1ccc2c(c1)c(C#N)cn2-c1ccc(C(=O)O)cn1
InChIInChI=1S/C16H11N3O2/c1-10-2-4-14-13(6-10)12(7-17)9-19(14)15-5-3-11(8-18-15)16(20)21/h2-6,8-9H,1H3,(H,20,21)
InChIKeyISIFLQZMCCXFOA-UHFFFAOYSA-N
XLogP2.90
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid (CID 58437479) is 6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid is Cc1ccc2c(c1)c(C#N)cn2-c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is ISIFLQZMCCXFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-10-2-4-14-13(6-10)12(7-17)9-19(14)15-5-3-11(8-18-15)16(20)21/h2-6,8-9H,1H3,(H,20,21).
What are the key properties of 6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid?
6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 58437479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).