7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile

C15H11N3O — CID 172970796

IUPAC7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile
SMILESCc1cc(O)c2[nH]c(-c3ccncc3)c(C#N)c2c1
InChIInChI=1S/C15H11N3O/c1-9-6-11-12(8-16)14(10-2-4-17-5-3-10)18-15(11)13(19)7-9/h2-7,18-19H,1H3
InChIKeyFRUBITVFVDYBHW-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.12
Rot. Bonds1

About 7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile

7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile (PubChem CID 172970796) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile
PubChem CID172970796
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile
SMILESCc1cc(O)c2[nH]c(-c3ccncc3)c(C#N)c2c1
InChIInChI=1S/C15H11N3O/c1-9-6-11-12(8-16)14(10-2-4-17-5-3-10)18-15(11)13(19)7-9/h2-7,18-19H,1H3
InChIKeyFRUBITVFVDYBHW-UHFFFAOYSA-N
XLogP3.12
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile?
The IUPAC name of 7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile (CID 172970796) is 7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile.
What is the SMILES notation for 7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile?
The canonical SMILES for 7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile is Cc1cc(O)c2[nH]c(-c3ccncc3)c(C#N)c2c1.
What is the InChIKey of 7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile?
The InChIKey is FRUBITVFVDYBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-9-6-11-12(8-16)14(10-2-4-17-5-3-10)18-15(11)13(19)7-9/h2-7,18-19H,1H3.
What are the key properties of 7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile?
7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile has a molecular weight of 249.27 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-methyl-2-pyridin-4-yl-1H-indole-3-carbonitrile is sourced from PubChem (CID 172970796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).