6-bromo-3-chloro-2,4-dimethoxyaniline

C8H9BrClNO2 — CID 58946772

IUPAC6-bromo-3-chloro-2,4-dimethoxyaniline
SMILESCOc1cc(Br)c(N)c(OC)c1Cl
InChIInChI=1S/C8H9BrClNO2/c1-12-5-3-4(9)7(11)8(13-2)6(5)10/h3H,11H2,1-2H3
InChIKeyNWYPWBGLOYMVKA-UHFFFAOYSA-N
MW266.52 g/mol
LogP2.70
Rot. Bonds2

About 6-bromo-3-chloro-2,4-dimethoxyaniline

6-bromo-3-chloro-2,4-dimethoxyaniline (PubChem CID 58946772) has the molecular formula C8H9BrClNO2 and a molecular weight of 266.52 g/mol. Its IUPAC name is 6-bromo-3-chloro-2,4-dimethoxyaniline.

Molecular Properties

Compound Name6-bromo-3-chloro-2,4-dimethoxyaniline
PubChem CID58946772
Molecular FormulaC8H9BrClNO2
Molecular Weight266.52 g/mol
Exact Mass264.95
IUPAC Name6-bromo-3-chloro-2,4-dimethoxyaniline
SMILESCOc1cc(Br)c(N)c(OC)c1Cl
InChIInChI=1S/C8H9BrClNO2/c1-12-5-3-4(9)7(11)8(13-2)6(5)10/h3H,11H2,1-2H3
InChIKeyNWYPWBGLOYMVKA-UHFFFAOYSA-N
XLogP2.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-4-methoxy-2,3-dimethylaniline
CID 151145179
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
2-amino-5-bromo-4-chloro-3-methoxybenzoic acid
CID 90257890
2-bromo-6-methoxybenzene-1,4-diamine
CID 10889334
1,3,4-tribromo-2-chloro-5-methoxybenzene
CID 169336784
2,4-dichloro-3,5-dimethoxyphenol
CID 154103285
2,3,5,6-tetramethoxyaniline
CID 19093015
2,6-dibromo-4-methoxyaniline
CID 542895
2-bromo-5-chloro-6,8-dimethoxyquinoline
CID 102941242
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
(3-bromo-4-chloro-5-methoxyphenyl)methanamine
CID 122129661

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-2,4-dimethoxyaniline?
The IUPAC name of 6-bromo-3-chloro-2,4-dimethoxyaniline (CID 58946772) is 6-bromo-3-chloro-2,4-dimethoxyaniline.
What is the SMILES notation for 6-bromo-3-chloro-2,4-dimethoxyaniline?
The canonical SMILES for 6-bromo-3-chloro-2,4-dimethoxyaniline is COc1cc(Br)c(N)c(OC)c1Cl.
What is the InChIKey of 6-bromo-3-chloro-2,4-dimethoxyaniline?
The InChIKey is NWYPWBGLOYMVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO2/c1-12-5-3-4(9)7(11)8(13-2)6(5)10/h3H,11H2,1-2H3.
What are the key properties of 6-bromo-3-chloro-2,4-dimethoxyaniline?
6-bromo-3-chloro-2,4-dimethoxyaniline has a molecular weight of 266.52 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-2,4-dimethoxyaniline is sourced from PubChem (CID 58946772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).