1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde

C16H11BrFNO — CID 102911365

IUPAC1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(Cc3cccc(F)c3Br)c2c1
InChIInChI=1S/C16H11BrFNO/c17-16-13(2-1-3-14(16)18)9-19-7-6-12-5-4-11(10-20)8-15(12)19/h1-8,10H,9H2
InChIKeyZWHHYIXOPJEPFW-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.40
Rot. Bonds3

About 1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde

1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde (PubChem CID 102911365) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is 1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde.

Molecular Properties

Compound Name1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde
PubChem CID102911365
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(Cc3cccc(F)c3Br)c2c1
InChIInChI=1S/C16H11BrFNO/c17-16-13(2-1-3-14(16)18)9-19-7-6-12-5-4-11(10-20)8-15(12)19/h1-8,10H,9H2
InChIKeyZWHHYIXOPJEPFW-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'}

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Related Compounds

1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
CID 103047362
1-[(3-methylphenyl)methyl]indole-6-carbaldehyde
CID 17221168
1-[(2-bromo-3-fluorophenyl)methyl]indole-5-carbonitrile
CID 107920156
1-[(4-chloro-2-fluorophenyl)methyl]indole-5-carbaldehyde
CID 102910413
1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
CID 102911304
N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline
CID 169383155
1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde
CID 102910928
1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde
CID 102911175
1-[(2-fluorophenyl)methyl]indol-6-amine
CID 43308904
3-chloro-4-[(6-formylindol-1-yl)methyl]benzonitrile
CID 102911207
1-[(2-bromo-3-fluorophenyl)methyl]-7-nitroindole
CID 114936134
1-(3-hydroxypropyl)indole-6-carbaldehyde
CID 102911092

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde?
The IUPAC name of 1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde (CID 102911365) is 1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde.
What is the SMILES notation for 1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde?
The canonical SMILES for 1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde is O=Cc1ccc2ccn(Cc3cccc(F)c3Br)c2c1.
What is the InChIKey of 1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde?
The InChIKey is ZWHHYIXOPJEPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c17-16-13(2-1-3-14(16)18)9-19-7-6-12-5-4-11(10-20)8-15(12)19/h1-8,10H,9H2.
What are the key properties of 1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde?
1-[(2-bromo-3-fluorophenyl)methyl]indole-6-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 1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde is sourced from PubChem (CID 102911365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).