4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile

C15H11N3O — CID 80643657

IUPAC4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc3[nH]ccc3c2)ccn1
InChIInChI=1S/C15H11N3O/c16-9-13-7-11(3-5-17-13)10-19-14-1-2-15-12(8-14)4-6-18-15/h1-8,18H,10H2
InChIKeyZFEMRTVXURGIAZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.01
Rot. Bonds3

About 4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile

4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile (PubChem CID 80643657) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile
PubChem CID80643657
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc3[nH]ccc3c2)ccn1
InChIInChI=1S/C15H11N3O/c16-9-13-7-11(3-5-17-13)10-19-14-1-2-15-12(8-14)4-6-18-15/h1-8,18H,10H2
InChIKeyZFEMRTVXURGIAZ-UHFFFAOYSA-N
XLogP3.01
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-(1H-indol-5-yloxymethyl)phenol
CID 80641928
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 63888827
5-(2-pyridin-4-ylethoxy)-1H-indole
CID 80643578
4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887840
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435
4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 65203604
4-[[3-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882354
5-[(4-chloro-3-fluorophenyl)methoxy]-1H-indole
CID 107888362
4-(1H-indol-5-yloxymethyl)quinoline
CID 80648654
3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid
CID 63888033

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile (CID 80643657) is 4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile is N#Cc1cc(COc2ccc3[nH]ccc3c2)ccn1.
What is the InChIKey of 4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile?
The InChIKey is ZFEMRTVXURGIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-9-13-7-11(3-5-17-13)10-19-14-1-2-15-12(8-14)4-6-18-15/h1-8,18H,10H2.
What are the key properties of 4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile?
4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile has a molecular weight of 249.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 80643657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).