4-(4-bromothiophen-2-yl)-3-chloroaniline

C10H7BrClNS — CID 154666152

IUPAC4-(4-bromothiophen-2-yl)-3-chloroaniline
SMILESNc1ccc(-c2cc(Br)cs2)c(Cl)c1
InChIInChI=1S/C10H7BrClNS/c11-6-3-10(14-5-6)8-2-1-7(13)4-9(8)12/h1-5H,13H2
InChIKeyOCHBNDGRORKXNX-UHFFFAOYSA-N
MW288.60 g/mol
LogP4.41
Rot. Bonds1

About 4-(4-bromothiophen-2-yl)-3-chloroaniline

4-(4-bromothiophen-2-yl)-3-chloroaniline (PubChem CID 154666152) has the molecular formula C10H7BrClNS and a molecular weight of 288.60 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-3-chloroaniline.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-3-chloroaniline
PubChem CID154666152
Molecular FormulaC10H7BrClNS
Molecular Weight288.60 g/mol
Exact Mass286.92
IUPAC Name4-(4-bromothiophen-2-yl)-3-chloroaniline
SMILESNc1ccc(-c2cc(Br)cs2)c(Cl)c1
InChIInChI=1S/C10H7BrClNS/c11-6-3-10(14-5-6)8-2-1-7(13)4-9(8)12/h1-5H,13H2
InChIKeyOCHBNDGRORKXNX-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-3-chloroaniline?
The IUPAC name of 4-(4-bromothiophen-2-yl)-3-chloroaniline (CID 154666152) is 4-(4-bromothiophen-2-yl)-3-chloroaniline.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-3-chloroaniline?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-3-chloroaniline is Nc1ccc(-c2cc(Br)cs2)c(Cl)c1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-3-chloroaniline?
The InChIKey is OCHBNDGRORKXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNS/c11-6-3-10(14-5-6)8-2-1-7(13)4-9(8)12/h1-5H,13H2.
What are the key properties of 4-(4-bromothiophen-2-yl)-3-chloroaniline?
4-(4-bromothiophen-2-yl)-3-chloroaniline has a molecular weight of 288.60 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-3-chloroaniline is sourced from PubChem (CID 154666152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).