4-bromo-5-iodo-2-methylaniline

C7H7BrIN — CID 104815623

IUPAC4-bromo-5-iodo-2-methylaniline
SMILESCc1cc(Br)c(I)cc1N
InChIInChI=1S/C7H7BrIN/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,10H2,1H3
InChIKeyJCJMLVQCGCXZPV-UHFFFAOYSA-N
MW311.95 g/mol
LogP2.94
Rot. Bonds

About 4-bromo-5-iodo-2-methylaniline

4-bromo-5-iodo-2-methylaniline (PubChem CID 104815623) has the molecular formula C7H7BrIN and a molecular weight of 311.95 g/mol. Its IUPAC name is 4-bromo-5-iodo-2-methylaniline.

Molecular Properties

Compound Name4-bromo-5-iodo-2-methylaniline
PubChem CID104815623
Molecular FormulaC7H7BrIN
Molecular Weight311.95 g/mol
Exact Mass310.88
IUPAC Name4-bromo-5-iodo-2-methylaniline
SMILESCc1cc(Br)c(I)cc1N
InChIInChI=1S/C7H7BrIN/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,10H2,1H3
InChIKeyJCJMLVQCGCXZPV-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.95
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-5-iodo-2-methylphenyl)methanamine
CID 171018168
2,5-dibromo-4-methylaniline
CID 15752291
1-bromo-4-(chloromethyl)-2-iodo-5-methylbenzene
CID 131262421
(5-bromo-4-iodo-2-methylphenyl)methanamine
CID 171018435
4-bromo-2-iodo-1-methylbenzene;5-bromo-2-methylaniline
CID 161339651
4-bromo-2,5-dimethylaniline;formic acid
CID 169101784
5-bromo-4-iodo-2-(trifluoromethyl)aniline
CID 130730619
2-bromo-5-iodo-4-methylbenzenesulfonamide
CID 171033366
5-(1,1-difluoroethyl)-4-iodo-2-methylaniline
CID 70640858
11-methyltriphenylene-2,3,6,7,10-pentamine
CID 126681989
2-(2-amino-4-bromo-5-iodophenyl)acetic acid
CID 171033950
4-N-(3-bromo-4-iodophenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 114261885

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-iodo-2-methylaniline?
The IUPAC name of 4-bromo-5-iodo-2-methylaniline (CID 104815623) is 4-bromo-5-iodo-2-methylaniline.
What is the SMILES notation for 4-bromo-5-iodo-2-methylaniline?
The canonical SMILES for 4-bromo-5-iodo-2-methylaniline is Cc1cc(Br)c(I)cc1N.
What is the InChIKey of 4-bromo-5-iodo-2-methylaniline?
The InChIKey is JCJMLVQCGCXZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrIN/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,10H2,1H3.
What are the key properties of 4-bromo-5-iodo-2-methylaniline?
4-bromo-5-iodo-2-methylaniline has a molecular weight of 311.95 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-iodo-2-methylaniline is sourced from PubChem (CID 104815623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).