ethane;1-methylpyrrolo[2,3-b]pyridine;toluene

C17H22N2 — CID 143220810

IUPACethane;1-methylpyrrolo[2,3-b]pyridine;toluene
SMILESCC.Cc1ccccc1.Cn1ccc2cccnc21
InChIInChI=1S/C8H8N2.C7H8.C2H6/c1-10-6-4-7-3-2-5-9-8(7)10;1-7-5-3-2-4-6-7;1-2/h2-6H,1H3;2-6H,1H3;1-2H3
InChIKeyANSWWLJWNKNDTL-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.59
Rot. Bonds

About ethane;1-methylpyrrolo[2,3-b]pyridine;toluene

ethane;1-methylpyrrolo[2,3-b]pyridine;toluene (PubChem CID 143220810) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is ethane;1-methylpyrrolo[2,3-b]pyridine;toluene.

Molecular Properties

Compound Nameethane;1-methylpyrrolo[2,3-b]pyridine;toluene
PubChem CID143220810
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Nameethane;1-methylpyrrolo[2,3-b]pyridine;toluene
SMILESCC.Cc1ccccc1.Cn1ccc2cccnc21
InChIInChI=1S/C8H8N2.C7H8.C2H6/c1-10-6-4-7-3-2-5-9-8(7)10;1-7-5-3-2-4-6-7;1-2/h2-6H,1H3;2-6H,1H3;1-2H3
InChIKeyANSWWLJWNKNDTL-UHFFFAOYSA-N
XLogP4.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
1-methylpyrrolo[2,3-b]pyridine;propane
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1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
ethane;2-methylpyridine;toluene
CID 143164268
1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 69081244
methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110626
2-methylpyrimidine;toluene
CID 157227208
1-pent-4-enylpyrrolo[2,3-b]pyridine
CID 175838520
benzene;ethane;toluene
CID 158929596
N-ethylpyrrolo[2,3-b]pyridin-1-amine
CID 10419482
ethane;toluene
CID 91350799
1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine
CID 141216183

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpyrrolo[2,3-b]pyridine;toluene?
The IUPAC name of ethane;1-methylpyrrolo[2,3-b]pyridine;toluene (CID 143220810) is ethane;1-methylpyrrolo[2,3-b]pyridine;toluene.
What is the SMILES notation for ethane;1-methylpyrrolo[2,3-b]pyridine;toluene?
The canonical SMILES for ethane;1-methylpyrrolo[2,3-b]pyridine;toluene is CC.Cc1ccccc1.Cn1ccc2cccnc21.
What is the InChIKey of ethane;1-methylpyrrolo[2,3-b]pyridine;toluene?
The InChIKey is ANSWWLJWNKNDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C7H8.C2H6/c1-10-6-4-7-3-2-5-9-8(7)10;1-7-5-3-2-4-6-7;1-2/h2-6H,1H3;2-6H,1H3;1-2H3.
What are the key properties of ethane;1-methylpyrrolo[2,3-b]pyridine;toluene?
ethane;1-methylpyrrolo[2,3-b]pyridine;toluene has a molecular weight of 254.38 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpyrrolo[2,3-b]pyridine;toluene is sourced from PubChem (CID 143220810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).