3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one

C16H14F2N2O — CID 103502450

IUPAC3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESO=C(CCN1CCc2ccc(F)cc21)c1ccc(F)cn1
InChIInChI=1S/C16H14F2N2O/c17-12-2-1-11-5-7-20(15(11)9-12)8-6-16(21)14-4-3-13(18)10-19-14/h1-4,9-10H,5-8H2
InChIKeyPGFIYBKXNXQONS-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.00
Rot. Bonds4

About 3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one

3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one (PubChem CID 103502450) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
PubChem CID103502450
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESO=C(CCN1CCc2ccc(F)cc21)c1ccc(F)cn1
InChIInChI=1S/C16H14F2N2O/c17-12-2-1-11-5-7-20(15(11)9-12)8-6-16(21)14-4-3-13(18)10-19-14/h1-4,9-10H,5-8H2
InChIKeyPGFIYBKXNXQONS-UHFFFAOYSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103502441
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103502567
4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
CID 103503791
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912
3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62618338
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83110513
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one?
The IUPAC name of 3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one (CID 103502450) is 3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one?
The canonical SMILES for 3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one is O=C(CCN1CCc2ccc(F)cc21)c1ccc(F)cn1.
What is the InChIKey of 3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one?
The InChIKey is PGFIYBKXNXQONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-12-2-1-11-5-7-20(15(11)9-12)8-6-16(21)14-4-3-13(18)10-19-14/h1-4,9-10H,5-8H2.
What are the key properties of 3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one?
3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one has a molecular weight of 288.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one is sourced from PubChem (CID 103502450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).