ethane;3-methyl-2-phenylpyridine;pentane

C21H35N — CID 155691053

IUPACethane;3-methyl-2-phenylpyridine;pentane
SMILESCC.CC.CCCCC.Cc1cccnc1-c1ccccc1
InChIInChI=1S/C12H11N.C5H12.2C2H6/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-3-5-4-2;2*1-2/h2-9H,1H3;3-5H2,1-2H3;2*1-2H3
InChIKeyMPYSLFXFXCZWBV-UHFFFAOYSA-N
MW301.52 g/mol
LogP7.31
Rot. Bonds3

About ethane;3-methyl-2-phenylpyridine;pentane

ethane;3-methyl-2-phenylpyridine;pentane (PubChem CID 155691053) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is ethane;3-methyl-2-phenylpyridine;pentane.

Molecular Properties

Compound Nameethane;3-methyl-2-phenylpyridine;pentane
PubChem CID155691053
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Nameethane;3-methyl-2-phenylpyridine;pentane
SMILESCC.CC.CCCCC.Cc1cccnc1-c1ccccc1
InChIInChI=1S/C12H11N.C5H12.2C2H6/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-3-5-4-2;2*1-2/h2-9H,1H3;3-5H2,1-2H3;2*1-2H3
InChIKeyMPYSLFXFXCZWBV-UHFFFAOYSA-N
XLogP7.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
2-(3-butyl-4-fluorophenyl)-3-methylpyridine
CID 140726876
3-[(E)-hept-1-enyl]-2-phenylpyridine
CID 23657471
2-[4-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586970
2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163651654
azane;2-butyl-3-methylpyridine
CID 175305988
iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine
CID 157060689
1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane
CID 144549338
4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine
CID 65430629
2-(2-butan-2-ylphenyl)-3-methylpyridine
CID 130282558
2-(3-methyl-2-pyridinyl)benzenethiol
CID 137155222
2-(3,5-dibromophenyl)-3-methylpyridine
CID 155769988

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-phenylpyridine;pentane?
The IUPAC name of ethane;3-methyl-2-phenylpyridine;pentane (CID 155691053) is ethane;3-methyl-2-phenylpyridine;pentane.
What is the SMILES notation for ethane;3-methyl-2-phenylpyridine;pentane?
The canonical SMILES for ethane;3-methyl-2-phenylpyridine;pentane is CC.CC.CCCCC.Cc1cccnc1-c1ccccc1.
What is the InChIKey of ethane;3-methyl-2-phenylpyridine;pentane?
The InChIKey is MPYSLFXFXCZWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C5H12.2C2H6/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-3-5-4-2;2*1-2/h2-9H,1H3;3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methyl-2-phenylpyridine;pentane?
ethane;3-methyl-2-phenylpyridine;pentane has a molecular weight of 301.52 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-phenylpyridine;pentane is sourced from PubChem (CID 155691053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).