4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane

C11H16N2 — CID 145006450

IUPAC4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane
SMILESCC.Cc1ncc(C)c2[nH]ccc12
InChIInChI=1S/C9H10N2.C2H6/c1-6-5-11-7(2)8-3-4-10-9(6)8;1-2/h3-5,10H,1-2H3;1-2H3
InChIKeyIMIODUNJFOTXMX-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.21
Rot. Bonds

About 4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane

4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane (PubChem CID 145006450) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane.

Molecular Properties

Compound Name4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane
PubChem CID145006450
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane
SMILESCC.Cc1ncc(C)c2[nH]ccc12
InChIInChI=1S/C9H10N2.C2H6/c1-6-5-11-7(2)8-3-4-10-9(6)8;1-2/h3-5,10H,1-2H3;1-2H3
InChIKeyIMIODUNJFOTXMX-UHFFFAOYSA-N
XLogP3.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane?
The IUPAC name of 4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane (CID 145006450) is 4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane.
What is the SMILES notation for 4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane?
The canonical SMILES for 4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane is CC.Cc1ncc(C)c2[nH]ccc12.
What is the InChIKey of 4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane?
The InChIKey is IMIODUNJFOTXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-6-5-11-7(2)8-3-4-10-9(6)8;1-2/h3-5,10H,1-2H3;1-2H3.
What are the key properties of 4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane?
4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane has a molecular weight of 176.26 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane is sourced from PubChem (CID 145006450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).