(3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone

C17H17FN2O2 — CID 166615059

IUPAC(3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ncccc1F)N1CCC(Cc2ccc(O)cc2)C1
InChIInChI=1S/C17H17FN2O2/c18-15-2-1-8-19-16(15)17(22)20-9-7-13(11-20)10-12-3-5-14(21)6-4-12/h1-6,8,13,21H,7,9-11H2
InChIKeyFTXRZFOETPWHTC-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.63
Rot. Bonds3

About (3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone

(3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 166615059) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is (3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone
PubChem CID166615059
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name(3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ncccc1F)N1CCC(Cc2ccc(O)cc2)C1
InChIInChI=1S/C17H17FN2O2/c18-15-2-1-8-19-16(15)17(22)20-9-7-13(11-20)10-12-3-5-14(21)6-4-12/h1-6,8,13,21H,7,9-11H2
InChIKeyFTXRZFOETPWHTC-UHFFFAOYSA-N
XLogP2.63
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 97205943
[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 166623326
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 166618895
(3-methyl-2-pyridinyl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245569
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95542975
2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 107517164
[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 166616660
3-[3-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzoic acid
CID 120691977
1-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 166612520
(2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166619402
[3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 122139592

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone (CID 166615059) is (3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone is O=C(c1ncccc1F)N1CCC(Cc2ccc(O)cc2)C1.
What is the InChIKey of (3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is FTXRZFOETPWHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-15-2-1-8-19-16(15)17(22)20-9-7-13(11-20)10-12-3-5-14(21)6-4-12/h1-6,8,13,21H,7,9-11H2.
What are the key properties of (3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone?
(3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 300.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166615059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).