1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol

C14H12BrF2NO — CID 102854845

IUPAC1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2-c1cc(Br)c(F)cc1F
InChIInChI=1S/C14H12BrF2NO/c15-9-6-13(11(17)7-10(9)16)18-5-4-8-12(18)2-1-3-14(8)19/h4-7,14,19H,1-3H2
InChIKeyVGHADPHZKMSDJX-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.89
Rot. Bonds1

About 1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol

1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 102854845) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID102854845
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2-c1cc(Br)c(F)cc1F
InChIInChI=1S/C14H12BrF2NO/c15-9-6-13(11(17)7-10(9)16)18-5-4-8-12(18)2-1-3-14(8)19/h4-7,14,19H,1-3H2
InChIKeyVGHADPHZKMSDJX-UHFFFAOYSA-N
XLogP3.89
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 81274785
1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 107593886
1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 62813453
1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol
CID 64853598
1-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol
CID 63327797
1-[3-chloro-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol
CID 116700795
1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol
CID 79241304
1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol
CID 107586549
1-(1,2-oxazol-4-yl)-4,5,6,7-tetrahydroindol-4-ol
CID 62914521
1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63464844
2-[4-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)phenyl]acetonitrile
CID 62301216
1-(2,6-dimethylpiperidin-1-yl)-4,5,6,7-tetrahydroindol-4-ol
CID 83023764

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol (CID 102854845) is 1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol is OC1CCCc2c1ccn2-c1cc(Br)c(F)cc1F.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is VGHADPHZKMSDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-9-6-13(11(17)7-10(9)16)18-5-4-8-12(18)2-1-3-14(8)19/h4-7,14,19H,1-3H2.
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol?
1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 328.16 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 102854845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).