6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile

C15H10N4O2 — CID 63722697

IUPAC6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)nc1
InChIInChI=1S/C15H10N4O2/c16-7-9-1-2-10(17-8-9)15-18-11-5-13-14(6-12(11)19-15)21-4-3-20-13/h1-2,5-6,8H,3-4H2,(H,18,19)
InChIKeyKHHHODDAIAEKJV-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.27
Rot. Bonds1

About 6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile

6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile (PubChem CID 63722697) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile
PubChem CID63722697
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)nc1
InChIInChI=1S/C15H10N4O2/c16-7-9-1-2-10(17-8-9)15-18-11-5-13-14(6-12(11)19-15)21-4-3-20-13/h1-2,5-6,8H,3-4H2,(H,18,19)
InChIKeyKHHHODDAIAEKJV-UHFFFAOYSA-N
XLogP2.27
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile (CID 63722697) is 6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile is N#Cc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)nc1.
What is the InChIKey of 6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile?
The InChIKey is KHHHODDAIAEKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c16-7-9-1-2-10(17-8-9)15-18-11-5-13-14(6-12(11)19-15)21-4-3-20-13/h1-2,5-6,8H,3-4H2,(H,18,19).
What are the key properties of 6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile?
6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile has a molecular weight of 278.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 63722697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).