5-methyl-2-(4-pentoxyphenyl)pyridine

C17H21NO — CID 96893655

IUPAC5-methyl-2-(4-pentoxyphenyl)pyridine
SMILESCCCCCOc1ccc(-c2ccc(C)cn2)cc1
InChIInChI=1S/C17H21NO/c1-3-4-5-12-19-16-9-7-15(8-10-16)17-11-6-14(2)13-18-17/h6-11,13H,3-5,12H2,1-2H3
InChIKeyNBMOFTNPAWXFQC-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.63
Rot. Bonds6

About 5-methyl-2-(4-pentoxyphenyl)pyridine

5-methyl-2-(4-pentoxyphenyl)pyridine (PubChem CID 96893655) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-methyl-2-(4-pentoxyphenyl)pyridine.

Molecular Properties

Compound Name5-methyl-2-(4-pentoxyphenyl)pyridine
PubChem CID96893655
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name5-methyl-2-(4-pentoxyphenyl)pyridine
SMILESCCCCCOc1ccc(-c2ccc(C)cn2)cc1
InChIInChI=1S/C17H21NO/c1-3-4-5-12-19-16-9-7-15(8-10-16)17-11-6-14(2)13-18-17/h6-11,13H,3-5,12H2,1-2H3
InChIKeyNBMOFTNPAWXFQC-UHFFFAOYSA-N
XLogP4.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-heptoxyphenyl)phenyl]-5-(4-methylphenyl)pyridine
CID 102122193
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
6-(4-hexoxyphenyl)pyridine-3-carbonitrile
CID 3129237
6-(4-pentoxyphenyl)pyridine-3-carboxylic acid
CID 12576503
5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
CID 139601500
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine
CID 139772111
2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine
CID 23181046
2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine
CID 19101340
6-(4-hexoxyphenyl)pyridine-3-carboxylic acid
CID 12576504

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-pentoxyphenyl)pyridine?
The IUPAC name of 5-methyl-2-(4-pentoxyphenyl)pyridine (CID 96893655) is 5-methyl-2-(4-pentoxyphenyl)pyridine.
What is the SMILES notation for 5-methyl-2-(4-pentoxyphenyl)pyridine?
The canonical SMILES for 5-methyl-2-(4-pentoxyphenyl)pyridine is CCCCCOc1ccc(-c2ccc(C)cn2)cc1.
What is the InChIKey of 5-methyl-2-(4-pentoxyphenyl)pyridine?
The InChIKey is NBMOFTNPAWXFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-4-5-12-19-16-9-7-15(8-10-16)17-11-6-14(2)13-18-17/h6-11,13H,3-5,12H2,1-2H3.
What are the key properties of 5-methyl-2-(4-pentoxyphenyl)pyridine?
5-methyl-2-(4-pentoxyphenyl)pyridine has a molecular weight of 255.36 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-pentoxyphenyl)pyridine is sourced from PubChem (CID 96893655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).