2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol

C21H31BrF2N4O2 — CID 159436859

IUPAC2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol
SMILESC.Fc1ccc(Br)nc1.OC1CCN(c2ccc(F)cn2)CC1.OC1CCNCC1
InChIInChI=1S/C10H13FN2O.C5H3BrFN.C5H11NO.CH4/c11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13;6-5-2-1-4(7)3-8-5;7-5-1-3-6-4-2-5;/h1-2,7,9,14H,3-6H2;1-3H;5-7H,1-4H2;1H4
InChIKeyLRRMBGILBDDIAL-UHFFFAOYSA-N
MW489.41 g/mol
LogP3.53
Rot. Bonds1

About 2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol

2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol (PubChem CID 159436859) has the molecular formula C21H31BrF2N4O2 and a molecular weight of 489.41 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol.

Molecular Properties

Compound Name2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol
PubChem CID159436859
Molecular FormulaC21H31BrF2N4O2
Molecular Weight489.41 g/mol
Exact Mass488.16
IUPAC Name2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol
SMILESC.Fc1ccc(Br)nc1.OC1CCN(c2ccc(F)cn2)CC1.OC1CCNCC1
InChIInChI=1S/C10H13FN2O.C5H3BrFN.C5H11NO.CH4/c11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13;6-5-2-1-4(7)3-8-5;7-5-1-3-6-4-2-5;/h1-2,7,9,14H,3-6H2;1-3H;5-7H,1-4H2;1H4
InChIKeyLRRMBGILBDDIAL-UHFFFAOYSA-N
XLogP3.53
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.41
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine
CID 141306046
3-[(5-Bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 104858418
4-[(5-Bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol
CID 104919055
1-[(5-Bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol
CID 104924845
(2R)-4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol
CID 131031486
N-[1-(5-bromo-3-fluoropyridin-2-yl)piperidin-4-yl]-2-(morpholin-4-yl)pyrimidin-4-amine
CID 175650168
1-(5-Bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane
CID 67871907
1-[1-(5-Bromo-2-pyridinyl)piperazin-2-yl]ethanol
CID 69899136
Bis(1-(3-bromo-2-pyridinyl)piperazine);hydrate;dihydrochloride
CID 70482663
(2R)-4-(5-bromo-2-pyridinyl)-2-methylmorpholine;2,5-dibromopyridine;(2R)-2-methylmorpholine
CID 157142488
(2S)-4-(5-bromo-2-pyridinyl)-2-methylmorpholine;2,5-dibromopyridine;(2S)-2-methylmorpholine
CID 157142489
5-Bromo-2-piperidin-1-ylpyridine;2,5-dibromopyridine;piperidine
CID 157810586

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol?
The IUPAC name of 2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol (CID 159436859) is 2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol.
What is the SMILES notation for 2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol?
The canonical SMILES for 2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol is C.Fc1ccc(Br)nc1.OC1CCN(c2ccc(F)cn2)CC1.OC1CCNCC1.
What is the InChIKey of 2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol?
The InChIKey is LRRMBGILBDDIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O.C5H3BrFN.C5H11NO.CH4/c11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13;6-5-2-1-4(7)3-8-5;7-5-1-3-6-4-2-5;/h1-2,7,9,14H,3-6H2;1-3H;5-7H,1-4H2;1H4.
What are the key properties of 2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol?
2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol has a molecular weight of 489.41 g/mol, XLogP of 3.53, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoropyridine;1-(5-fluoro-2-pyridinyl)piperidin-4-ol;methane;piperidin-4-ol is sourced from PubChem (CID 159436859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).