3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine

C16H17FN2 — CID 146613270

IUPAC3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCC(C)c1c(-c2ccnc(F)c2)ncc2c1CCC2
InChIInChI=1S/C16H17FN2/c1-10(2)15-13-5-3-4-12(13)9-19-16(15)11-6-7-18-14(17)8-11/h6-10H,3-5H2,1-2H3
InChIKeyXCVBSTFQQMEXRK-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.89
Rot. Bonds2

About 3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine

3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 146613270) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID146613270
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCC(C)c1c(-c2ccnc(F)c2)ncc2c1CCC2
InChIInChI=1S/C16H17FN2/c1-10(2)15-13-5-3-4-12(13)9-19-16(15)11-6-7-18-14(17)8-11/h6-10H,3-5H2,1-2H3
InChIKeyXCVBSTFQQMEXRK-UHFFFAOYSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.89
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)-7,7-dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[c]pyridine
CID 167358994
4-propan-2-yl-3-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 146613279
5-fluoro-2-(2-fluoro-4-pyridinyl)-N,N-dimethylpyridin-3-amine
CID 171092559
(1R)-1-(3-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)ethanamine
CID 124676933
2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 177049801
trimethyl-(3-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)silane
CID 11391887
2-fluoro-4-(4-fluorophenyl)pyridine
CID 46312736
2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133088728
3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 135190154
3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline
CID 10850716
3-(2-fluoro-4-pyridinyl)-1H-isoindole
CID 157451126
3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid
CID 146303240

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 146613270) is 3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine is CC(C)c1c(-c2ccnc(F)c2)ncc2c1CCC2.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is XCVBSTFQQMEXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-10(2)15-13-5-3-4-12(13)9-19-16(15)11-6-7-18-14(17)8-11/h6-10H,3-5H2,1-2H3.
What are the key properties of 3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine?
3-(2-fluoro-4-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 256.32 g/mol, XLogP of 3.89, 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)-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 146613270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).