4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine

C16H17FN2 — CID 95871341

IUPAC4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
SMILESFc1ccccc1[C@@H]1CCN(Cc2ccncc2)C1
InChIInChI=1S/C16H17FN2/c17-16-4-2-1-3-15(16)14-7-10-19(12-14)11-13-5-8-18-9-6-13/h1-6,8-9,14H,7,10-12H2/t14-/m1/s1
InChIKeyHBUQIYHPEIIOTC-CQSZACIVSA-N
MW256.32 g/mol
LogP3.21
Rot. Bonds3

About 4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine

4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine (PubChem CID 95871341) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
PubChem CID95871341
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
SMILESFc1ccccc1[C@@H]1CCN(Cc2ccncc2)C1
InChIInChI=1S/C16H17FN2/c17-16-4-2-1-3-15(16)14-7-10-19(12-14)11-13-5-8-18-9-6-13/h1-6,8-9,14H,7,10-12H2/t14-/m1/s1
InChIKeyHBUQIYHPEIIOTC-CQSZACIVSA-N
XLogP3.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809145
2-(2-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809144
2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone
CID 140930148
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
4-[(3-fluoropiperidin-1-yl)methyl]pyridine
CID 171701781
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
[2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine
CID 19959051
2-[2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 56915846
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
CID 173052074
2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]-8-methoxyquinoline
CID 56916123

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine (CID 95871341) is 4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine is Fc1ccccc1[C@@H]1CCN(Cc2ccncc2)C1.
What is the InChIKey of 4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is HBUQIYHPEIIOTC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17FN2/c17-16-4-2-1-3-15(16)14-7-10-19(12-14)11-13-5-8-18-9-6-13/h1-6,8-9,14H,7,10-12H2/t14-/m1/s1.
What are the key properties of 4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine?
4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 256.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 95871341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).