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5-Fluoro-2-(piperidin-4-YL)pyridine

HCID 59627438
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
1138217-86-3
Standard SMILES
Fc1ccc(C2CCNCC2)nc1
InChIKey
MCSRVNMGHZPKBW-UHFFFAOYSA-N
Molecular formula
C10H13FN2
Average molar mass
180.22 g/mol
Monoisotopic mass
180.10627659

Names & identifiers

Preferred name
5-Fluoro-2-(piperidin-4-YL)pyridine
IUPAC
5-fluoro-2-piperidin-4-ylpyridine
English name
5-fluoro-2-(piperidin-4-yl)pyridine
Molecular formula
C10H13FN2
Molecular weight
180.22

Names & synonyms

5-FLUORO-2-(PIPERIDIN-4-YL)PYRIDINE1138217-86-35-fluoro-2-piperidin-4-ylpyridine5-Fluoro-2-(4-piperidinyl)pyridineSCHEMBL2173522MCSRVNMGHZPKBW-UHFFFAOYSA-NDTXSID7012953985-FLUORO-1',2',3',4',5',6'-HEXAHYDRO-[2,4']BIPYRIDINYLAKOS022707014AB68887DB-100341EN300-302151
Show more names
Pyridine, 5-fluoro-2-(4-piperidinyl)-
A1-126020F2147-2461

Database identifiers

CAS
1138217-86-3
PubChem CID
59627438
DTXSID
DTXSID701295398

Properties

Computed structural propertiesFilling in

XLogP
1.1
Topological polar surface area
24.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
157

Physicochemical properties

Boiling point
268.5 · 268.5±40.0 °C(Predicted)
Density
1.098 · 1.098±0.06 g/cm3(Predicted)
pka
9.81 · 9.81±0.10(Predicted)

Related reactions

2 records
New reaction record
HRID 663792 reaction equation
HRID 663792As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1009063 reaction equation
HRID 1009063As reactantuspto-grants-2011_07

Compound notes

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