(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C14H10BrFN2O — CID 103718991

IUPAC(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Br)nc1)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H10BrFN2O/c15-13-4-2-10(8-17-13)14(19)18-6-5-9-1-3-11(16)7-12(9)18/h1-4,7-8H,5-6H2
InChIKeyXGHUMBRNOSEIAC-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.19
Rot. Bonds1

About (6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 103718991) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is (6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID103718991
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Br)nc1)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H10BrFN2O/c15-13-4-2-10(8-17-13)14(19)18-6-5-9-1-3-11(16)7-12(9)18/h1-4,7-8H,5-6H2
InChIKeyXGHUMBRNOSEIAC-UHFFFAOYSA-N
XLogP3.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.19
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

(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
2,3-dihydro-1H-indol-6-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495318
[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495293
(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493768
(6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111520398
[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502194
(5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228439
(5-bromofuran-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228436
(4-chloro-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103872831
(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502157
(3-amino-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502191
(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493823

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 103718991) is (6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(Br)nc1)N1CCc2ccc(F)cc21.
What is the InChIKey of (6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is XGHUMBRNOSEIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-13-4-2-10(8-17-13)14(19)18-6-5-9-1-3-11(16)7-12(9)18/h1-4,7-8H,5-6H2.
What are the key properties of (6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 321.15 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 103718991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).