5-bromo-4-chloro-2-methoxyaniline

C7H7BrClNO — CID 75537158

IUPAC5-bromo-4-chloro-2-methoxyaniline
SMILESCOc1cc(Cl)c(Br)cc1N
InChIInChI=1S/C7H7BrClNO/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,10H2,1H3
InChIKeyYYRSHQWXBOMAAS-UHFFFAOYSA-N
MW236.50 g/mol
LogP2.69
Rot. Bonds1

About 5-bromo-4-chloro-2-methoxyaniline

5-bromo-4-chloro-2-methoxyaniline (PubChem CID 75537158) has the molecular formula C7H7BrClNO and a molecular weight of 236.50 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-methoxyaniline.

Molecular Properties

Compound Name5-bromo-4-chloro-2-methoxyaniline
PubChem CID75537158
Molecular FormulaC7H7BrClNO
Molecular Weight236.50 g/mol
Exact Mass234.94
IUPAC Name5-bromo-4-chloro-2-methoxyaniline
SMILESCOc1cc(Cl)c(Br)cc1N
InChIInChI=1S/C7H7BrClNO/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,10H2,1H3
InChIKeyYYRSHQWXBOMAAS-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
5-bromo-2-methoxy-4-phosphanylaniline
CID 170176312
5-bromo-4-chloro-2-(trifluoromethoxy)aniline
CID 121227608
2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54032840
2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine
CID 169490482
4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
CID 118162049
4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 90455887
5-amino-2-chloro-4-methoxybenzenesulfonic acid
CID 154102437
methyl 5-bromo-4-chloro-2-methoxybenzoate
CID 26370082
sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
CID 175500910
5-bromo-4-methyl-2-nitroaniline;5-chloro-2-methoxy-4-nitroaniline
CID 87659403

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-methoxyaniline?
The IUPAC name of 5-bromo-4-chloro-2-methoxyaniline (CID 75537158) is 5-bromo-4-chloro-2-methoxyaniline.
What is the SMILES notation for 5-bromo-4-chloro-2-methoxyaniline?
The canonical SMILES for 5-bromo-4-chloro-2-methoxyaniline is COc1cc(Cl)c(Br)cc1N.
What is the InChIKey of 5-bromo-4-chloro-2-methoxyaniline?
The InChIKey is YYRSHQWXBOMAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,10H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-methoxyaniline?
5-bromo-4-chloro-2-methoxyaniline has a molecular weight of 236.50 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-methoxyaniline is sourced from PubChem (CID 75537158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).