2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine

C17H19FN2 — CID 133482186

IUPAC2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine
SMILESCc1cccc(N2CCCC2Cc2cccc(F)c2)n1
InChIInChI=1S/C17H19FN2/c1-13-5-2-9-17(19-13)20-10-4-8-16(20)12-14-6-3-7-15(18)11-14/h2-3,5-7,9,11,16H,4,8,10,12H2,1H3
InChIKeyCKFCVYNCXOUSHI-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.74
Rot. Bonds3

About 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine

2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine (PubChem CID 133482186) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine
PubChem CID133482186
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine
SMILESCc1cccc(N2CCCC2Cc2cccc(F)c2)n1
InChIInChI=1S/C17H19FN2/c1-13-5-2-9-17(19-13)20-10-4-8-16(20)12-14-6-3-7-15(18)11-14/h2-3,5-7,9,11,16H,4,8,10,12H2,1H3
InChIKeyCKFCVYNCXOUSHI-UHFFFAOYSA-N
XLogP3.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine
CID 78848726
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 99796063
[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 55808202
2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine
CID 130920970
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 71880144
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 94106652
(2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 94806056
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 136515250
(2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95626124
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
(2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 175660491

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine?
The IUPAC name of 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine (CID 133482186) is 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine?
The canonical SMILES for 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine is Cc1cccc(N2CCCC2Cc2cccc(F)c2)n1.
What is the InChIKey of 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine?
The InChIKey is CKFCVYNCXOUSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-13-5-2-9-17(19-13)20-10-4-8-16(20)12-14-6-3-7-15(18)11-14/h2-3,5-7,9,11,16H,4,8,10,12H2,1H3.
What are the key properties of 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine?
2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine has a molecular weight of 270.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine is sourced from PubChem (CID 133482186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).