ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine

C11H16N2O — CID 170611768

IUPACethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine
SMILESCC.COc1cc2cc(C)[nH]c2cn1
InChIInChI=1S/C9H10N2O.C2H6/c1-6-3-7-4-9(12-2)10-5-8(7)11-6;1-2/h3-5,11H,1-2H3;1-2H3
InChIKeyCMUDBTOEPAXVRQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.91
Rot. Bonds1

About ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine

ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 170611768) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Nameethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine
PubChem CID170611768
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine
SMILESCC.COc1cc2cc(C)[nH]c2cn1
InChIInChI=1S/C9H10N2O.C2H6/c1-6-3-7-4-9(12-2)10-5-8(7)11-6;1-2/h3-5,11H,1-2H3;1-2H3
InChIKeyCMUDBTOEPAXVRQ-UHFFFAOYSA-N
XLogP2.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine (CID 170611768) is ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine is CC.COc1cc2cc(C)[nH]c2cn1.
What is the InChIKey of ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is CMUDBTOEPAXVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C2H6/c1-6-3-7-4-9(12-2)10-5-8(7)11-6;1-2/h3-5,11H,1-2H3;1-2H3.
What are the key properties of ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine?
ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 192.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 170611768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).