1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine

C10H8BrClN2S — CID 115125196

IUPAC1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine
SMILESNc1cc(Cl)ccc1Nc1ccc(Br)s1
InChIInChI=1S/C10H8BrClN2S/c11-9-3-4-10(15-9)14-8-2-1-6(12)5-7(8)13/h1-5,14H,13H2
InChIKeyXVJYYDMMVZGQEL-UHFFFAOYSA-N
MW303.61 g/mol
LogP4.49
Rot. Bonds2

About 1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine

1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine (PubChem CID 115125196) has the molecular formula C10H8BrClN2S and a molecular weight of 303.61 g/mol. Its IUPAC name is 1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine
PubChem CID115125196
Molecular FormulaC10H8BrClN2S
Molecular Weight303.61 g/mol
Exact Mass301.93
IUPAC Name1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine
SMILESNc1cc(Cl)ccc1Nc1ccc(Br)s1
InChIInChI=1S/C10H8BrClN2S/c11-9-3-4-10(15-9)14-8-2-1-6(12)5-7(8)13/h1-5,14H,13H2
InChIKeyXVJYYDMMVZGQEL-UHFFFAOYSA-N
XLogP4.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(5-bromothiophen-2-yl)ethyl]-4-chlorobenzene-1,2-diamine
CID 106037358
1-N-(4-bromo-2-methylphenyl)-4-chlorobenzene-1,2-diamine
CID 29066657
1-N-(5-bromo-2-methylphenyl)-4-chlorobenzene-1,2-diamine
CID 43805872
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539
4-chloro-1-N-fluorobenzene-1,2-diamine
CID 146389148
4-chloro-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 29067463
4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 2815904
4-chloro-1-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 62808962
4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148758
4-bromo-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067533
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
1-N-[(4-bromophenyl)methyl]-4-chlorobenzene-1,2-diamine
CID 14953000

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine?
The IUPAC name of 1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine (CID 115125196) is 1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine is Nc1cc(Cl)ccc1Nc1ccc(Br)s1.
What is the InChIKey of 1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine?
The InChIKey is XVJYYDMMVZGQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2S/c11-9-3-4-10(15-9)14-8-2-1-6(12)5-7(8)13/h1-5,14H,13H2.
What are the key properties of 1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine?
1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine has a molecular weight of 303.61 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromothiophen-2-yl)-4-chlorobenzene-1,2-diamine is sourced from PubChem (CID 115125196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).