[(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride

C11H16ClFN2O — CID 66847814

IUPAC[(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride
SMILESC[C@@]1(CO)CC[C@H](c2cncc(F)c2)N1.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-11(7-15)3-2-10(14-11)8-4-9(12)6-13-5-8;/h4-6,10,14-15H,2-3,7H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyQDATWEOATUMGMU-DHXVBOOMSA-N
MW246.71 g/mol
LogP1.82
Rot. Bonds2

About [(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride

[(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 66847814) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is [(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride
PubChem CID66847814
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name[(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride
SMILESC[C@@]1(CO)CC[C@H](c2cncc(F)c2)N1.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-11(7-15)3-2-10(14-11)8-4-9(12)6-13-5-8;/h4-6,10,14-15H,2-3,7H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyQDATWEOATUMGMU-DHXVBOOMSA-N
XLogP1.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine
CID 169114355
2-(5-fluoro-3-pyridinyl)-4,4-dimethylcyclohexan-1-amine
CID 81014855
3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine
CID 155694847
(2S)-2-(5-fluoro-3-pyridinyl)piperazine
CID 55265229
3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine
CID 126623835
3-(2,2-dibromocyclopropyl)-5-fluoropyridine
CID 126979804
(S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride
CID 155127632
3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine
CID 116540734
N-[(5-fluoro-3-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine
CID 126787216
[1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol
CID 115927993
5-fluoro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-3-sulfonamide
CID 113431326
(3S)-6-ethyl-3-(5-fluoro-3-pyridinyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one
CID 139545499

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride (CID 66847814) is [(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride is C[C@@]1(CO)CC[C@H](c2cncc(F)c2)N1.Cl.
What is the InChIKey of [(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is QDATWEOATUMGMU-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H15FN2O.ClH/c1-11(7-15)3-2-10(14-11)8-4-9(12)6-13-5-8;/h4-6,10,14-15H,2-3,7H2,1H3;1H/t10-,11+;/m1./s1.
What are the key properties of [(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride?
[(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 246.71 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 66847814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).