ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine

C11H16N2 — CID 145385089

IUPACethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC.CCc1cc2cccnc2[nH]1
InChIInChI=1S/C9H10N2.C2H6/c1-2-8-6-7-4-3-5-10-9(7)11-8;1-2/h3-6H,2H2,1H3,(H,10,11);1-2H3
InChIKeyVIGBEYDMEOMFSN-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.15
Rot. Bonds1

About ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine

ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 145385089) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID145385089
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC.CCc1cc2cccnc2[nH]1
InChIInChI=1S/C9H10N2.C2H6/c1-2-8-6-7-4-3-5-10-9(7)11-8;1-2/h3-6H,2H2,1H3,(H,10,11);1-2H3
InChIKeyVIGBEYDMEOMFSN-UHFFFAOYSA-N
XLogP3.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine (CID 145385089) is ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine is CC.CCc1cc2cccnc2[nH]1.
What is the InChIKey of ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VIGBEYDMEOMFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-2-8-6-7-4-3-5-10-9(7)11-8;1-2/h3-6H,2H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine?
ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 176.26 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 145385089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).