ethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine

C11H18N2O — CID 164870477

IUPACethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine
SMILESCC.CO.Cc1cc2ccncc2[nH]1
InChIInChI=1S/C8H8N2.C2H6.CH4O/c1-6-4-7-2-3-9-5-8(7)10-6;2*1-2/h2-5,10H,1H3;1-2H3;2H,1H3
InChIKeyDSZFFNZDEULQAG-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.51
Rot. Bonds

About ethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine

ethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 164870477) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Nameethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine
PubChem CID164870477
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine
SMILESCC.CO.Cc1cc2ccncc2[nH]1
InChIInChI=1S/C8H8N2.C2H6.CH4O/c1-6-4-7-2-3-9-5-8(7)10-6;2*1-2/h2-5,10H,1H3;1-2H3;2H,1H3
InChIKeyDSZFFNZDEULQAG-UHFFFAOYSA-N
XLogP2.51
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of ethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine (CID 164870477) is ethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for ethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for ethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine is CC.CO.Cc1cc2ccncc2[nH]1.
What is the InChIKey of ethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is DSZFFNZDEULQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2H6.CH4O/c1-6-4-7-2-3-9-5-8(7)10-6;2*1-2/h2-5,10H,1H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine?
ethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 194.28 g/mol, XLogP of 2.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;2-methyl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 164870477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).