5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile

C15H11N3O — CID 116864596

IUPAC5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile
SMILESCn1cc(-c2cc(C#N)c(O)cn2)c2ccccc21
InChIInChI=1S/C15H11N3O/c1-18-9-12(11-4-2-3-5-14(11)18)13-6-10(7-16)15(19)8-17-13/h2-6,8-9,19H,1H3
InChIKeyNTITUUMPSALGRF-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.82
Rot. Bonds1

About 5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile

5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile (PubChem CID 116864596) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile
PubChem CID116864596
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile
SMILESCn1cc(-c2cc(C#N)c(O)cn2)c2ccccc21
InChIInChI=1S/C15H11N3O/c1-18-9-12(11-4-2-3-5-14(11)18)13-6-10(7-16)15(19)8-17-13/h2-6,8-9,19H,1H3
InChIKeyNTITUUMPSALGRF-UHFFFAOYSA-N
XLogP2.82
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile?
The IUPAC name of 5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile (CID 116864596) is 5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile?
The canonical SMILES for 5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile is Cn1cc(-c2cc(C#N)c(O)cn2)c2ccccc21.
What is the InChIKey of 5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile?
The InChIKey is NTITUUMPSALGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-18-9-12(11-4-2-3-5-14(11)18)13-6-10(7-16)15(19)8-17-13/h2-6,8-9,19H,1H3.
What are the key properties of 5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile?
5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile has a molecular weight of 249.27 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 116864596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).