2-bromo-6-chloroaniline;2-chloro-6-methylaniline

C13H13BrCl2N2 — CID 164960891

IUPAC2-bromo-6-chloroaniline;2-chloro-6-methylaniline
SMILESCc1cccc(Cl)c1N.Nc1c(Cl)cccc1Br
InChIInChI=1S/C7H8ClN.C6H5BrClN/c1-5-3-2-4-6(8)7(5)9;7-4-2-1-3-5(8)6(4)9/h2-4H,9H2,1H3;1-3H,9H2
InChIKeyBVADVNLCTNZSQZ-UHFFFAOYSA-N
MW348.07 g/mol
LogP4.92
Rot. Bonds

About 2-bromo-6-chloroaniline;2-chloro-6-methylaniline

2-bromo-6-chloroaniline;2-chloro-6-methylaniline (PubChem CID 164960891) has the molecular formula C13H13BrCl2N2 and a molecular weight of 348.07 g/mol. Its IUPAC name is 2-bromo-6-chloroaniline;2-chloro-6-methylaniline.

Molecular Properties

Compound Name2-bromo-6-chloroaniline;2-chloro-6-methylaniline
PubChem CID164960891
Molecular FormulaC13H13BrCl2N2
Molecular Weight348.07 g/mol
Exact Mass345.96
IUPAC Name2-bromo-6-chloroaniline;2-chloro-6-methylaniline
SMILESCc1cccc(Cl)c1N.Nc1c(Cl)cccc1Br
InChIInChI=1S/C7H8ClN.C6H5BrClN/c1-5-3-2-4-6(8)7(5)9;7-4-2-1-3-5(8)6(4)9/h2-4H,9H2,1H3;1-3H,9H2
InChIKeyBVADVNLCTNZSQZ-UHFFFAOYSA-N
XLogP4.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.07
LogP ≤ 54.92
H-Bond Donors ≤ 52
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 2-bromo-6-chloroaniline;2-chloro-6-methylaniline?
The IUPAC name of 2-bromo-6-chloroaniline;2-chloro-6-methylaniline (CID 164960891) is 2-bromo-6-chloroaniline;2-chloro-6-methylaniline.
What is the SMILES notation for 2-bromo-6-chloroaniline;2-chloro-6-methylaniline?
The canonical SMILES for 2-bromo-6-chloroaniline;2-chloro-6-methylaniline is Cc1cccc(Cl)c1N.Nc1c(Cl)cccc1Br.
What is the InChIKey of 2-bromo-6-chloroaniline;2-chloro-6-methylaniline?
The InChIKey is BVADVNLCTNZSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN.C6H5BrClN/c1-5-3-2-4-6(8)7(5)9;7-4-2-1-3-5(8)6(4)9/h2-4H,9H2,1H3;1-3H,9H2.
What are the key properties of 2-bromo-6-chloroaniline;2-chloro-6-methylaniline?
2-bromo-6-chloroaniline;2-chloro-6-methylaniline has a molecular weight of 348.07 g/mol, XLogP of 4.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloroaniline;2-chloro-6-methylaniline is sourced from PubChem (CID 164960891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).