ethane;2-methylpyridine;1,2,4-trimethylpyrrole

C17H30N2 — CID 143140657

IUPACethane;2-methylpyridine;1,2,4-trimethylpyrrole
SMILESCC.CC.Cc1cc(C)n(C)c1.Cc1ccccn1
InChIInChI=1S/C7H11N.C6H7N.2C2H6/c1-6-4-7(2)8(3)5-6;1-6-4-2-3-5-7-6;2*1-2/h4-5H,1-3H3;2-5H,1H3;2*1-2H3
InChIKeyPFVWDTWASLRPFW-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.08
Rot. Bonds

About ethane;2-methylpyridine;1,2,4-trimethylpyrrole

ethane;2-methylpyridine;1,2,4-trimethylpyrrole (PubChem CID 143140657) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is ethane;2-methylpyridine;1,2,4-trimethylpyrrole.

Molecular Properties

Compound Nameethane;2-methylpyridine;1,2,4-trimethylpyrrole
PubChem CID143140657
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Nameethane;2-methylpyridine;1,2,4-trimethylpyrrole
SMILESCC.CC.Cc1cc(C)n(C)c1.Cc1ccccn1
InChIInChI=1S/C7H11N.C6H7N.2C2H6/c1-6-4-7(2)8(3)5-6;1-6-4-2-3-5-7-6;2*1-2/h4-5H,1-3H3;2-5H,1H3;2*1-2H3
InChIKeyPFVWDTWASLRPFW-UHFFFAOYSA-N
XLogP5.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4-dimethylpyrrol-2-yl)pyridine;ethane
CID 143140664
ethane;2-methylpyridine;toluene
CID 143164268
2,4-dimethylpyridine;ethane;2-methylpyridine
CID 143179513
magnesium;hydride;2-methylpyridine;hydroiodide
CID 174750573
2,2-dimethylpropane;2-methylpyridine
CID 159740552
dibromonickel;2-methylpyridine
CID 159872160
2-methylpyridine;pyridine
CID 19753594
dichloroplatinum;bis(2-methylpyridine)
CID 4034453
butane;2-methylpyridine;propane
CID 171077595
CID 158064055
CID 158064055
anthracene-9,10-dione;2-methylpyridine;hydrobromide
CID 67625699
1,4-dioxane;2-methylpyridine
CID 158048361

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpyridine;1,2,4-trimethylpyrrole?
The IUPAC name of ethane;2-methylpyridine;1,2,4-trimethylpyrrole (CID 143140657) is ethane;2-methylpyridine;1,2,4-trimethylpyrrole.
What is the SMILES notation for ethane;2-methylpyridine;1,2,4-trimethylpyrrole?
The canonical SMILES for ethane;2-methylpyridine;1,2,4-trimethylpyrrole is CC.CC.Cc1cc(C)n(C)c1.Cc1ccccn1.
What is the InChIKey of ethane;2-methylpyridine;1,2,4-trimethylpyrrole?
The InChIKey is PFVWDTWASLRPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C6H7N.2C2H6/c1-6-4-7(2)8(3)5-6;1-6-4-2-3-5-7-6;2*1-2/h4-5H,1-3H3;2-5H,1H3;2*1-2H3.
What are the key properties of ethane;2-methylpyridine;1,2,4-trimethylpyrrole?
ethane;2-methylpyridine;1,2,4-trimethylpyrrole has a molecular weight of 262.44 g/mol, XLogP of 5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpyridine;1,2,4-trimethylpyrrole is sourced from PubChem (CID 143140657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).