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

C11H5BrCl3FN2 — CID 102749919

IUPACN-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine
SMILESFc1ccc(Nc2nc(Cl)c(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C11H5BrCl3FN2/c12-6-3-5(16)1-2-9(6)17-11-8(14)4-7(13)10(15)18-11/h1-4H,(H,17,18)
InChIKeyOJTUZACPWQAJBK-UHFFFAOYSA-N
MW370.44 g/mol
LogP5.69
Rot. Bonds2

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

N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine (PubChem CID 102749919) has the molecular formula C11H5BrCl3FN2 and a molecular weight of 370.44 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine
PubChem CID102749919
Molecular FormulaC11H5BrCl3FN2
Molecular Weight370.44 g/mol
Exact Mass367.87
IUPAC NameN-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine
SMILESFc1ccc(Nc2nc(Cl)c(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C11H5BrCl3FN2/c12-6-3-5(16)1-2-9(6)17-11-8(14)4-7(13)10(15)18-11/h1-4H,(H,17,18)
InChIKeyOJTUZACPWQAJBK-UHFFFAOYSA-N
XLogP5.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.44
LogP ≤ 55.69
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

N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine
CID 114002020
N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 43808120
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine
CID 102752038
3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102751000
3,5-dichloro-6-N-(2-chloro-4-fluorophenyl)pyridine-2,6-diamine
CID 102754342
4-(2-bromo-4-fluoroanilino)-6-chloro-2-methylpyrimidine-5-carbaldehyde
CID 80732680
6-(2-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 28939546
6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759236
N-(2-bromo-4-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62481305
3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
CID 102751650
6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine
CID 114261721

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine (CID 102749919) is N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine is Fc1ccc(Nc2nc(Cl)c(Cl)cc2Cl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine?
The InChIKey is OJTUZACPWQAJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl3FN2/c12-6-3-5(16)1-2-9(6)17-11-8(14)4-7(13)10(15)18-11/h1-4H,(H,17,18).
What are the key properties of N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine?
N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine has a molecular weight of 370.44 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine is sourced from PubChem (CID 102749919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).