5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde

C16H11BrFNO — CID 2060019

IUPAC5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2ccccc2F)c2ccc(Br)cc12
InChIInChI=1S/C16H11BrFNO/c17-13-5-6-16-14(7-13)12(10-20)9-19(16)8-11-3-1-2-4-15(11)18/h1-7,9-10H,8H2
InChIKeyJCTLQONXXMOFSN-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.40
Rot. Bonds3

About 5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde

5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde (PubChem CID 2060019) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is 5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde
PubChem CID2060019
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2ccccc2F)c2ccc(Br)cc12
InChIInChI=1S/C16H11BrFNO/c17-13-5-6-16-14(7-13)12(10-20)9-19(16)8-11-3-1-2-4-15(11)18/h1-7,9-10H,8H2
InChIKeyJCTLQONXXMOFSN-UHFFFAOYSA-N
XLogP4.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-bromo-1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]indene-1,3-dione
CID 126149378
5-bromo-1-[(3-fluorophenyl)methyl]indole-3-carbaldehyde
CID 4517038
(5Z)-5-[[5-bromo-1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 126134305
(5Z)-5-[[5-bromo-1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126156199
(5E)-1-benzyl-5-[[5-bromo-1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126167949
1-[(4-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde
CID 114851412
5-bromo-1-(2-phenoxyethyl)indole-3-carbaldehyde
CID 951743
1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66415838
(5Z)-5-[[5-bromo-1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126138706
6-bromo-2-tert-butyl-3-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
CID 126287010
5-[[5-bromo-1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 4583647
1-[[2-(trifluoromethyl)phenyl]methyl]indole-3-carbaldehyde
CID 18973324

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde?
The IUPAC name of 5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde (CID 2060019) is 5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde.
What is the SMILES notation for 5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde?
The canonical SMILES for 5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde is O=Cc1cn(Cc2ccccc2F)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde?
The InChIKey is JCTLQONXXMOFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c17-13-5-6-16-14(7-13)12(10-20)9-19(16)8-11-3-1-2-4-15(11)18/h1-7,9-10H,8H2.
What are the key properties of 5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde?
5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde has a molecular weight of 332.17 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde is sourced from PubChem (CID 2060019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).