4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene

C15H9BrClIS — CID 79683678

IUPAC4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene
SMILESClC(c1csc(I)c1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H9BrClIS/c16-13-6-5-12(10-3-1-2-4-11(10)13)15(17)9-7-14(18)19-8-9/h1-8,15H
InChIKeyVVFQXESBZWGOCW-UHFFFAOYSA-N
MW463.57 g/mol
LogP6.60
Rot. Bonds2

About 4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene

4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene (PubChem CID 79683678) has the molecular formula C15H9BrClIS and a molecular weight of 463.57 g/mol. Its IUPAC name is 4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene.

Molecular Properties

Compound Name4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene
PubChem CID79683678
Molecular FormulaC15H9BrClIS
Molecular Weight463.57 g/mol
Exact Mass461.83
IUPAC Name4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene
SMILESClC(c1csc(I)c1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H9BrClIS/c16-13-6-5-12(10-3-1-2-4-11(10)13)15(17)9-7-14(18)19-8-9/h1-8,15H
InChIKeyVVFQXESBZWGOCW-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.57
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene
CID 79597717
1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964
2-bromo-4-[chloro-(4-methylnaphthalen-1-yl)methyl]thiophene
CID 114021666
1-bromo-4-[chloro-(4-chlorophenyl)methyl]naphthalene
CID 79597714
1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene
CID 79597875
1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene
CID 107958992
4-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-iodothiophene
CID 79743303
1-bromo-4-[chloro-(3-methoxyphenyl)methyl]naphthalene
CID 79591185
1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene
CID 79591167
2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene
CID 79593812
4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene
CID 79684464
2,5-dichloro-3-[chloro-(5-iodothiophen-3-yl)methyl]thiophene
CID 79683590

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene?
The IUPAC name of 4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene (CID 79683678) is 4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene.
What is the SMILES notation for 4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene?
The canonical SMILES for 4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene is ClC(c1csc(I)c1)c1ccc(Br)c2ccccc12.
What is the InChIKey of 4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene?
The InChIKey is VVFQXESBZWGOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClIS/c16-13-6-5-12(10-3-1-2-4-11(10)13)15(17)9-7-14(18)19-8-9/h1-8,15H.
What are the key properties of 4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene?
4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene has a molecular weight of 463.57 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene is sourced from PubChem (CID 79683678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).