6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile

C8H6N2O2 — CID 170324009

IUPAC6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile
SMILESCc1cc2c(nc1C#N)OCO2
InChIInChI=1S/C8H6N2O2/c1-5-2-7-8(12-4-11-7)10-6(5)3-9/h2H,4H2,1H3
InChIKeyDERGOSIULBSBTP-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.99
Rot. Bonds

About 6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile

6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile (PubChem CID 170324009) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile
PubChem CID170324009
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile
SMILESCc1cc2c(nc1C#N)OCO2
InChIInChI=1S/C8H6N2O2/c1-5-2-7-8(12-4-11-7)10-6(5)3-9/h2H,4H2,1H3
InChIKeyDERGOSIULBSBTP-UHFFFAOYSA-N
XLogP0.99
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine
CID 171654346
2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile
CID 115143215
1-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)triazole-4-carbonitrile
CID 82196931
3-(6-methyl-1,3-benzodioxol-5-yl)propanenitrile
CID 116927389
1-(1,3-benzodioxol-5-yl)-5-ethyltriazole-4-carbonitrile
CID 82196895
4,4-difluoro-4-(6-methyl-1,3-benzodioxol-5-yl)butanenitrile
CID 116840956
5-(1,3-benzodioxol-5-yl)-2H-triazole-4-carbonitrile
CID 6411540
6-(1,3-benzodioxol-5-yl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2110872
1-(1,3-benzodioxol-5-yl)-5-(methoxymethyl)triazole-4-carbonitrile
CID 82196937
4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)benzonitrile
CID 30333496
2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine
CID 116897393
2-(6-methyl-1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)acetonitrile
CID 116834773

Frequently Asked Questions

What is the IUPAC name of 6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile?
The IUPAC name of 6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile (CID 170324009) is 6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile is Cc1cc2c(nc1C#N)OCO2.
What is the InChIKey of 6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile?
The InChIKey is DERGOSIULBSBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c1-5-2-7-8(12-4-11-7)10-6(5)3-9/h2H,4H2,1H3.
What are the key properties of 6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile?
6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile has a molecular weight of 162.15 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile is sourced from PubChem (CID 170324009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).