(3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol

C12H17FN2O — CID 131891791

IUPAC(3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol
SMILESCCc1ccc(CN2C[C@@H](O)[C@H](F)C2)nc1
InChIInChI=1S/C12H17FN2O/c1-2-9-3-4-10(14-5-9)6-15-7-11(13)12(16)8-15/h3-5,11-12,16H,2,6-8H2,1H3/t11-,12-/m1/s1
InChIKeyQXZZNOTVLPUKDY-VXGBXAGGSA-N
MW224.28 g/mol
LogP1.16
Rot. Bonds3

About (3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol

(3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol (PubChem CID 131891791) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol
PubChem CID131891791
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol
SMILESCCc1ccc(CN2C[C@@H](O)[C@H](F)C2)nc1
InChIInChI=1S/C12H17FN2O/c1-2-9-3-4-10(14-5-9)6-15-7-11(13)12(16)8-15/h3-5,11-12,16H,2,6-8H2,1H3/t11-,12-/m1/s1
InChIKeyQXZZNOTVLPUKDY-VXGBXAGGSA-N
XLogP1.16
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 134699277
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
(1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane
CID 77086588
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744
5-tert-butyl-2-[(3,4-difluoropyrrolidin-1-yl)methyl]pyridine
CID 176703031
[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 79739861
5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 77097083
1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672342
1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 99931796
1-[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 77085193
1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine
CID 77096922

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol (CID 131891791) is (3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol is CCc1ccc(CN2C[C@@H](O)[C@H](F)C2)nc1.
What is the InChIKey of (3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol?
The InChIKey is QXZZNOTVLPUKDY-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-2-9-3-4-10(14-5-9)6-15-7-11(13)12(16)8-15/h3-5,11-12,16H,2,6-8H2,1H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol?
(3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol has a molecular weight of 224.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 131891791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).