2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid

C19H15N3O3 — CID 51353191

IUPAC2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid
SMILESN#Cc1cn(C2CCOC2)c2ccc(-c3cc(C(=O)O)ccn3)cc12
InChIInChI=1S/C19H15N3O3/c20-9-14-10-22(15-4-6-25-11-15)18-2-1-12(7-16(14)18)17-8-13(19(23)24)3-5-21-17/h1-3,5,7-8,10,15H,4,6,11H2,(H,23,24)
InChIKeyRRZMCCWXSQIWQH-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.23
Rot. Bonds3

About 2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid

2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid (PubChem CID 51353191) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid
PubChem CID51353191
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid
SMILESN#Cc1cn(C2CCOC2)c2ccc(-c3cc(C(=O)O)ccn3)cc12
InChIInChI=1S/C19H15N3O3/c20-9-14-10-22(15-4-6-25-11-15)18-2-1-12(7-16(14)18)17-8-13(19(23)24)3-5-21-17/h1-3,5,7-8,10,15H,4,6,11H2,(H,23,24)
InChIKeyRRZMCCWXSQIWQH-UHFFFAOYSA-N
XLogP3.23
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid (CID 51353191) is 2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid is N#Cc1cn(C2CCOC2)c2ccc(-c3cc(C(=O)O)ccn3)cc12.
What is the InChIKey of 2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid?
The InChIKey is RRZMCCWXSQIWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c20-9-14-10-22(15-4-6-25-11-15)18-2-1-12(7-16(14)18)17-8-13(19(23)24)3-5-21-17/h1-3,5,7-8,10,15H,4,6,11H2,(H,23,24).
What are the key properties of 2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid?
2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid has a molecular weight of 333.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-1-(oxolan-3-yl)indol-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 51353191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).