2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine

C17H15ClN2 — CID 11208335

IUPAC2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine
SMILESCc1cc(-c2ccccn2)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN2/c1-13-10-17(16-4-2-3-9-19-16)20(11-13)12-14-5-7-15(18)8-6-14/h2-11H,12H2,1H3
InChIKeyAUEOKYRFOLOCGV-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.56
Rot. Bonds3

About 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine

2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine (PubChem CID 11208335) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine
PubChem CID11208335
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine
SMILESCc1cc(-c2ccccn2)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN2/c1-13-10-17(16-4-2-3-9-19-16)20(11-13)12-14-5-7-15(18)8-6-14/h2-11H,12H2,1H3
InChIKeyAUEOKYRFOLOCGV-UHFFFAOYSA-N
XLogP4.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzyl-4-methylpyrrol-2-yl)pyridine
CID 86011752
2-[1-(2,2-dimethoxyethyl)-4-methylpyrrol-2-yl]pyridine
CID 11230352
2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
CID 139073564
2-(1,4-dimethylpyrrol-2-yl)pyridine;ethane
CID 143140664
1-benzyl-2-chloro-4-methylpyrrole
CID 139840309
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
2-[2-(4-chlorophenyl)pyrazol-3-yl]pyridine
CID 56956135
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole
CID 167919809
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine (CID 11208335) is 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine is Cc1cc(-c2ccccn2)n(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine?
The InChIKey is AUEOKYRFOLOCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-13-10-17(16-4-2-3-9-19-16)20(11-13)12-14-5-7-15(18)8-6-14/h2-11H,12H2,1H3.
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine?
2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine has a molecular weight of 282.77 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine is sourced from PubChem (CID 11208335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).