5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine

C12H14FN — CID 130506647

IUPAC5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine
SMILESCc1ccc(F)c(C2=CCCNC2)c1
InChIInChI=1S/C12H14FN/c1-9-4-5-12(13)11(7-9)10-3-2-6-14-8-10/h3-5,7,14H,2,6,8H2,1H3
InChIKeyNHVIBKDUQYSOMA-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.51
Rot. Bonds1

About 5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine

5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 130506647) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine
PubChem CID130506647
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine
SMILESCc1ccc(F)c(C2=CCCNC2)c1
InChIInChI=1S/C12H14FN/c1-9-4-5-12(13)11(7-9)10-3-2-6-14-8-10/h3-5,7,14H,2,6,8H2,1H3
InChIKeyNHVIBKDUQYSOMA-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine
CID 130506757
5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
CID 168941463
5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine
CID 176569311
2-fluoro-1,3-bis(2-fluoro-5-methylphenyl)-5-methylbenzene
CID 13230580
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 171378845
1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene
CID 134617358
2-(cyclopenten-1-yl)-1,4-difluorobenzene
CID 149112828
4-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 168941722
4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene
CID 66968489
3-(2-fluoro-5-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585918
4-(2-fluoro-5-methylphenyl)pyridine
CID 46317281
4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne
CID 155425343

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine (CID 130506647) is 5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine is Cc1ccc(F)c(C2=CCCNC2)c1.
What is the InChIKey of 5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is NHVIBKDUQYSOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-9-4-5-12(13)11(7-9)10-3-2-6-14-8-10/h3-5,7,14H,2,6,8H2,1H3.
What are the key properties of 5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine?
5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 191.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 130506647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).