2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile

C15H12N2O3 — CID 151607040

IUPAC2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
SMILESCOc1ccc(C2COc3cc(C#N)ccc3O2)cn1
InChIInChI=1S/C15H12N2O3/c1-18-15-5-3-11(8-17-15)14-9-19-13-6-10(7-16)2-4-12(13)20-14/h2-6,8,14H,9H2,1H3
InChIKeyQLRSCXMVKCHHNE-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.47
Rot. Bonds2

About 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile

2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile (PubChem CID 151607040) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
PubChem CID151607040
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
SMILESCOc1ccc(C2COc3cc(C#N)ccc3O2)cn1
InChIInChI=1S/C15H12N2O3/c1-18-15-5-3-11(8-17-15)14-9-19-13-6-10(7-16)2-4-12(13)20-14/h2-6,8,14H,9H2,1H3
InChIKeyQLRSCXMVKCHHNE-UHFFFAOYSA-N
XLogP2.47
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 126484097
5-[6-(imidazol-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-2-methoxypyridine
CID 172834777
6-methoxy-3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazo[4,5-b]pyridine
CID 137405102
5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
CID 126483972
2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine
CID 175298871
2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzoxathiine-6-carbaldehyde
CID 126484381
6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114939162
5-[6-chloro-7-(imidazol-1-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-methoxypyridine
CID 126484048
5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine
CID 150335544
2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one
CID 141386053
N-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-4-nitropyridazin-3-amine
CID 137405124
6-bromo-2-[4-[(4-methoxyphenoxy)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine
CID 134943957

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile (CID 151607040) is 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile is COc1ccc(C2COc3cc(C#N)ccc3O2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile?
The InChIKey is QLRSCXMVKCHHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-18-15-5-3-11(8-17-15)14-9-19-13-6-10(7-16)2-4-12(13)20-14/h2-6,8,14H,9H2,1H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile?
2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile has a molecular weight of 268.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile is sourced from PubChem (CID 151607040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).