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

C15H10BrClFN — CID 102620287

IUPAC5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole
SMILESFc1ccc(Cl)c(Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C15H10BrClFN/c16-12-1-4-15-10(7-12)5-6-19(15)9-11-8-13(18)2-3-14(11)17/h1-8H,9H2
InChIKeySGCNUGPGDXGODQ-UHFFFAOYSA-N
MW338.61 g/mol
LogP5.24
Rot. Bonds2

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

5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole (PubChem CID 102620287) has the molecular formula C15H10BrClFN and a molecular weight of 338.61 g/mol. Its IUPAC name is 5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole.

Molecular Properties

Compound Name5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole
PubChem CID102620287
Molecular FormulaC15H10BrClFN
Molecular Weight338.61 g/mol
Exact Mass336.97
IUPAC Name5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole
SMILESFc1ccc(Cl)c(Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C15H10BrClFN/c16-12-1-4-15-10(7-12)5-6-19(15)9-11-8-13(18)2-3-14(11)17/h1-8H,9H2
InChIKeySGCNUGPGDXGODQ-UHFFFAOYSA-N
XLogP5.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole
CID 102620300
5-bromo-2-[(5-fluoroindol-1-yl)methyl]aniline
CID 114380593
5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041480
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
1-[(2-bromo-4-fluorophenyl)methyl]-5-fluoroindole
CID 63851490
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline
CID 43169100
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
CID 116619923
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 103475124
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole?
The IUPAC name of 5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole (CID 102620287) is 5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole.
What is the SMILES notation for 5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole?
The canonical SMILES for 5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole is Fc1ccc(Cl)c(Cn2ccc3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole?
The InChIKey is SGCNUGPGDXGODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN/c16-12-1-4-15-10(7-12)5-6-19(15)9-11-8-13(18)2-3-14(11)17/h1-8H,9H2.
What are the key properties of 5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole?
5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole has a molecular weight of 338.61 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole is sourced from PubChem (CID 102620287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).