3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine

C18H21FN2 — CID 167358994

IUPAC3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine
SMILESCC(C)c1c(-c2ccnc(F)c2)ncc2c1CCC2(C)C
InChIInChI=1S/C18H21FN2/c1-11(2)16-13-5-7-18(3,4)14(13)10-21-17(16)12-6-8-20-15(19)9-12/h6,8-11H,5,7H2,1-4H3
InChIKeyQAIXYLBJYHOVGK-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.63
Rot. Bonds2

About 3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine

3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine (PubChem CID 167358994) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine
PubChem CID167358994
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine
SMILESCC(C)c1c(-c2ccnc(F)c2)ncc2c1CCC2(C)C
InChIInChI=1S/C18H21FN2/c1-11(2)16-13-5-7-18(3,4)14(13)10-21-17(16)12-6-8-20-15(19)9-12/h6,8-11H,5,7H2,1-4H3
InChIKeyQAIXYLBJYHOVGK-UHFFFAOYSA-N
XLogP4.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 146613270
3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene
CID 139772831
5-fluoro-2-(2-fluoro-4-pyridinyl)-N,N-dimethylpyridin-3-amine
CID 171092559
1,3-bis[1,1-dimethyl-4,6-di(propan-2-yl)-2,3-dihydroinden-5-yl]propan-2-one
CID 154134413
[(1S)-6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid
CID 174226522
2-fluoro-4-(4-fluorophenyl)pyridine
CID 46312736
2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133088728
2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine
CID 18415383
2-fluoro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037455
2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134330036
8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 76794791
1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol
CID 22005150

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine (CID 167358994) is 3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine is CC(C)c1c(-c2ccnc(F)c2)ncc2c1CCC2(C)C.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine?
The InChIKey is QAIXYLBJYHOVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-11(2)16-13-5-7-18(3,4)14(13)10-21-17(16)12-6-8-20-15(19)9-12/h6,8-11H,5,7H2,1-4H3.
What are the key properties of 3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine?
3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine has a molecular weight of 284.38 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyridinyl)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine is sourced from PubChem (CID 167358994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).