3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine

C12H9BrClIN2 — CID 107607834

IUPAC3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2ccc(I)cc2Cl)c(Br)c1
InChIInChI=1S/C12H9BrClIN2/c1-7-4-9(13)12(16-6-7)17-11-3-2-8(15)5-10(11)14/h2-6H,1H3,(H,16,17)
InChIKeyIFCVWHRSQBYGEW-UHFFFAOYSA-N
MW423.48 g/mol
LogP5.15
Rot. Bonds2

About 3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine

3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine (PubChem CID 107607834) has the molecular formula C12H9BrClIN2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine
PubChem CID107607834
Molecular FormulaC12H9BrClIN2
Molecular Weight423.48 g/mol
Exact Mass421.87
IUPAC Name3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2ccc(I)cc2Cl)c(Br)c1
InChIInChI=1S/C12H9BrClIN2/c1-7-4-9(13)12(16-6-7)17-11-3-2-8(15)5-10(11)14/h2-6H,1H3,(H,16,17)
InChIKeyIFCVWHRSQBYGEW-UHFFFAOYSA-N
XLogP5.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine
CID 84609267
2-N-(4-bromo-2-chlorophenyl)-5-methylpyridine-2,3-diamine
CID 66278414
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine
CID 105367588
2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine
CID 114046080
N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine
CID 107605201
5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
CID 107607031
3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine
CID 105368107
3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
CID 107603071
3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine
CID 58028170
3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
CID 105367615
4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-fluorobenzonitrile
CID 105368036

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine (CID 107607834) is 3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine is Cc1cnc(Nc2ccc(I)cc2Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine?
The InChIKey is IFCVWHRSQBYGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClIN2/c1-7-4-9(13)12(16-6-7)17-11-3-2-8(15)5-10(11)14/h2-6H,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine?
3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine has a molecular weight of 423.48 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 107607834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).