2-(1-benzyl-4-methylpyrrol-2-yl)pyridine

C17H16N2 — CID 86011752

IUPAC2-(1-benzyl-4-methylpyrrol-2-yl)pyridine
SMILESCc1cc(-c2ccccn2)n(Cc2ccccc2)c1
InChIInChI=1S/C17H16N2/c1-14-11-17(16-9-5-6-10-18-16)19(12-14)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyBHACGFLOPZSXLV-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.91
Rot. Bonds3

About 2-(1-benzyl-4-methylpyrrol-2-yl)pyridine

2-(1-benzyl-4-methylpyrrol-2-yl)pyridine (PubChem CID 86011752) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(1-benzyl-4-methylpyrrol-2-yl)pyridine.

Molecular Properties

Compound Name2-(1-benzyl-4-methylpyrrol-2-yl)pyridine
PubChem CID86011752
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2-(1-benzyl-4-methylpyrrol-2-yl)pyridine
SMILESCc1cc(-c2ccccn2)n(Cc2ccccc2)c1
InChIInChI=1S/C17H16N2/c1-14-11-17(16-9-5-6-10-18-16)19(12-14)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyBHACGFLOPZSXLV-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine
CID 11208335
2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine
CID 11230352
2-(1,4-dimethylpyrrol-2-yl)pyridine;ethane
CID 143140664
1-benzyl-2-chloro-4-methylpyrrole
CID 139840309
2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
CID 139073564
2-(1-benzyltetrazol-5-yl)pyridine
CID 86063303
4-benzylimidazo[4,5-b]pyridine
CID 10035996
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
1-benzyl-2-methylimidazole
CID 158634472
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
4-methyl-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59651145

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-methylpyrrol-2-yl)pyridine?
The IUPAC name of 2-(1-benzyl-4-methylpyrrol-2-yl)pyridine (CID 86011752) is 2-(1-benzyl-4-methylpyrrol-2-yl)pyridine.
What is the SMILES notation for 2-(1-benzyl-4-methylpyrrol-2-yl)pyridine?
The canonical SMILES for 2-(1-benzyl-4-methylpyrrol-2-yl)pyridine is Cc1cc(-c2ccccn2)n(Cc2ccccc2)c1.
What is the InChIKey of 2-(1-benzyl-4-methylpyrrol-2-yl)pyridine?
The InChIKey is BHACGFLOPZSXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-14-11-17(16-9-5-6-10-18-16)19(12-14)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3.
What are the key properties of 2-(1-benzyl-4-methylpyrrol-2-yl)pyridine?
2-(1-benzyl-4-methylpyrrol-2-yl)pyridine has a molecular weight of 248.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-methylpyrrol-2-yl)pyridine is sourced from PubChem (CID 86011752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).