5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile

C14H12N2O2S — CID 102294012

IUPAC5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile
SMILESCC1(c2ccc(-c3cncc(C#N)c3)s2)OCCO1
InChIInChI=1S/C14H12N2O2S/c1-14(17-4-5-18-14)13-3-2-12(19-13)11-6-10(7-15)8-16-9-11/h2-3,6,8-9H,4-5H2,1H3
InChIKeyARPDYNHFOPQAKD-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.90
Rot. Bonds2

About 5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile

5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile (PubChem CID 102294012) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile
PubChem CID102294012
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile
SMILESCC1(c2ccc(-c3cncc(C#N)c3)s2)OCCO1
InChIInChI=1S/C14H12N2O2S/c1-14(17-4-5-18-14)13-3-2-12(19-13)11-6-10(7-15)8-16-9-11/h2-3,6,8-9H,4-5H2,1H3
InChIKeyARPDYNHFOPQAKD-UHFFFAOYSA-N
XLogP2.90
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile (CID 102294012) is 5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile is CC1(c2ccc(-c3cncc(C#N)c3)s2)OCCO1.
What is the InChIKey of 5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile?
The InChIKey is ARPDYNHFOPQAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-14(17-4-5-18-14)13-3-2-12(19-13)11-6-10(7-15)8-16-9-11/h2-3,6,8-9H,4-5H2,1H3.
What are the key properties of 5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile?
5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile has a molecular weight of 272.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 102294012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).