N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine

C12H7BrCl3FN2 — CID 102752038

IUPACN-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine
SMILESCc1cc(Br)c(F)cc1Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H7BrCl3FN2/c1-5-2-6(13)9(17)4-10(5)18-12-8(15)3-7(14)11(16)19-12/h2-4H,1H3,(H,18,19)
InChIKeyQUIRROUVNZCSTR-UHFFFAOYSA-N
MW384.46 g/mol
LogP6.00
Rot. Bonds2

About N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine

N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine (PubChem CID 102752038) has the molecular formula C12H7BrCl3FN2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine
PubChem CID102752038
Molecular FormulaC12H7BrCl3FN2
Molecular Weight384.46 g/mol
Exact Mass381.88
IUPAC NameN-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine
SMILESCc1cc(Br)c(F)cc1Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H7BrCl3FN2/c1-5-2-6(13)9(17)4-10(5)18-12-8(15)3-7(14)11(16)19-12/h2-4H,1H3,(H,18,19)
InChIKeyQUIRROUVNZCSTR-UHFFFAOYSA-N
XLogP6.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102751000
N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine
CID 102749919
N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine
CID 114002020
2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
CID 107591031
4-methyl-3-[(3,5,6-trichloro-2-pyridinyl)amino]benzonitrile
CID 102750947
N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine
CID 102824403
3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
CID 102751650
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine
CID 107593343
4-bromo-2-N-(4-bromo-5-fluoro-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736340
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 107593321
3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine
CID 107593871
N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine
CID 102751203

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine?
The IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine (CID 102752038) is N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine.
What is the SMILES notation for N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine?
The canonical SMILES for N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine is Cc1cc(Br)c(F)cc1Nc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine?
The InChIKey is QUIRROUVNZCSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl3FN2/c1-5-2-6(13)9(17)4-10(5)18-12-8(15)3-7(14)11(16)19-12/h2-4H,1H3,(H,18,19).
What are the key properties of N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine?
N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine has a molecular weight of 384.46 g/mol, XLogP of 6.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine is sourced from PubChem (CID 102752038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).