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

C12H10BrIN2 — CID 106876477

IUPAC3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(Nc2cccc(I)c2)c1Br
InChIInChI=1S/C12H10BrIN2/c1-8-5-6-15-12(11(8)13)16-10-4-2-3-9(14)7-10/h2-7H,1H3,(H,15,16)
InChIKeyACPJGGOWEDZTRX-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.50
Rot. Bonds2

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

3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine (PubChem CID 106876477) has the molecular formula C12H10BrIN2 and a molecular weight of 389.03 g/mol. Its IUPAC name is 3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine
PubChem CID106876477
Molecular FormulaC12H10BrIN2
Molecular Weight389.03 g/mol
Exact Mass387.91
IUPAC Name3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(Nc2cccc(I)c2)c1Br
InChIInChI=1S/C12H10BrIN2/c1-8-5-6-15-12(11(8)13)16-10-4-2-3-9(14)7-10/h2-7H,1H3,(H,15,16)
InChIKeyACPJGGOWEDZTRX-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.03
LogP ≤ 54.50
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-4-methyl-N-naphthalen-2-ylpyridin-2-amine
CID 106876946
3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine
CID 106876466
5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione
CID 106876452
4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile
CID 106876502
3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine
CID 112734776
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine
CID 106876933
3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
CID 106877354
2-(3-iodoanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 63511438
3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 106877332
3-bromo-N-tert-butyl-4-methylpyridin-2-amine
CID 106876455
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine (CID 106876477) is 3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine is Cc1ccnc(Nc2cccc(I)c2)c1Br.
What is the InChIKey of 3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine?
The InChIKey is ACPJGGOWEDZTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2/c1-8-5-6-15-12(11(8)13)16-10-4-2-3-9(14)7-10/h2-7H,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine?
3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine has a molecular weight of 389.03 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 106876477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).