2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile

C15H12N2O2 — CID 117001960

IUPAC2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C15H12N2O2/c16-6-5-11-1-3-13(17-10-11)12-2-4-14-15(9-12)19-8-7-18-14/h1-4,9-10H,5,7-8H2
InChIKeyCTLFYMKUGFAUNV-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.59
Rot. Bonds2

About 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile

2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile (PubChem CID 117001960) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile
PubChem CID117001960
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C15H12N2O2/c16-6-5-11-1-3-13(17-10-11)12-2-4-14-15(9-12)19-8-7-18-14/h1-4,9-10H,5,7-8H2
InChIKeyCTLFYMKUGFAUNV-UHFFFAOYSA-N
XLogP2.59
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine
CID 83918221
2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]amino]acetonitrile
CID 116975600
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[6-(6-fluoro-3-pyridinyl)-3-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole
CID 122194768
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole
CID 147188821
2-[6-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]acetonitrile
CID 118815019
2-(2,2-dideuterio-1,3-benzodioxol-5-yl)acetonitrile
CID 140863830
6-(1,3-benzodioxol-5-yl)pyridin-3-amine
CID 82394049
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine
CID 117001756
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651418
2-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)acetonitrile
CID 84785246
2-[6-[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-3-pyridinyl]acetonitrile
CID 99778539

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile (CID 117001960) is 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile is N#CCc1ccc(-c2ccc3c(c2)OCCO3)nc1.
What is the InChIKey of 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile?
The InChIKey is CTLFYMKUGFAUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-6-5-11-1-3-13(17-10-11)12-2-4-14-15(9-12)19-8-7-18-14/h1-4,9-10H,5,7-8H2.
What are the key properties of 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile?
2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile has a molecular weight of 252.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 117001960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).