2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine

C16H18N2 — CID 95846428

IUPAC2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine
SMILESCc1ccccc1-c1cc([C@@H]2CCCN2)ccn1
InChIInChI=1S/C16H18N2/c1-12-5-2-3-6-14(12)16-11-13(8-10-18-16)15-7-4-9-17-15/h2-3,5-6,8,10-11,15,17H,4,7,9H2,1H3/t15-/m0/s1
InChIKeyHNOMQVYJITZDEX-HNNXBMFYSA-N
MW238.33 g/mol
LogP3.48
Rot. Bonds2

About 2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine

2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine (PubChem CID 95846428) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine
PubChem CID95846428
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine
SMILESCc1ccccc1-c1cc([C@@H]2CCCN2)ccn1
InChIInChI=1S/C16H18N2/c1-12-5-2-3-6-14(12)16-11-13(8-10-18-16)15-7-4-9-17-15/h2-3,5-6,8,10-11,15,17H,4,7,9H2,1H3/t15-/m0/s1
InChIKeyHNOMQVYJITZDEX-HNNXBMFYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine
CID 124956755
2-methyl-4-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487324
2-(2-methylphenyl)-5-pyrrolidin-2-ylpyrazine
CID 155983162
4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116893348
3-methyl-N-(4-pyrrolidin-2-yl-2-pyridinyl)pyridin-2-amine
CID 110095928
2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride
CID 171687259
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
2-[2-[(2S)-pyrrolidin-2-yl]phenyl]pyridine;hydrochloride
CID 164551354
3-(azepan-2-yl)-5-(2-methylphenyl)-1,2-oxazole
CID 46785763
4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine
CID 140825856
4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116898799
2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 45156256

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine (CID 95846428) is 2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine is Cc1ccccc1-c1cc([C@@H]2CCCN2)ccn1.
What is the InChIKey of 2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine?
The InChIKey is HNOMQVYJITZDEX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-5-2-3-6-14(12)16-11-13(8-10-18-16)15-7-4-9-17-15/h2-3,5-6,8,10-11,15,17H,4,7,9H2,1H3/t15-/m0/s1.
What are the key properties of 2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine?
2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine has a molecular weight of 238.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95846428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).