6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid

C15H9N3O2 — CID 58437366

IUPAC6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid
SMILESN#Cc1cn(-c2ccc(C(=O)O)cn2)c2ccccc12
InChIInChI=1S/C15H9N3O2/c16-7-11-9-18(13-4-2-1-3-12(11)13)14-6-5-10(8-17-14)15(19)20/h1-6,8-9H,(H,19,20)
InChIKeyOMDICEGDVQDNEH-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.60
Rot. Bonds2

About 6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid

6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid (PubChem CID 58437366) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid
PubChem CID58437366
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid
SMILESN#Cc1cn(-c2ccc(C(=O)O)cn2)c2ccccc12
InChIInChI=1S/C15H9N3O2/c16-7-11-9-18(13-4-2-1-3-12(11)13)14-6-5-10(8-17-14)15(19)20/h1-6,8-9H,(H,19,20)
InChIKeyOMDICEGDVQDNEH-UHFFFAOYSA-N
XLogP2.60
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid (CID 58437366) is 6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid is N#Cc1cn(-c2ccc(C(=O)O)cn2)c2ccccc12.
What is the InChIKey of 6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is OMDICEGDVQDNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c16-7-11-9-18(13-4-2-1-3-12(11)13)14-6-5-10(8-17-14)15(19)20/h1-6,8-9H,(H,19,20).
What are the key properties of 6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid?
6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 263.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoindol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 58437366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).