6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine

C12H6Br2ClF3N2 — CID 102715636

IUPAC6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Cl)nc(Nc2ccc(Br)cc2Br)c1
InChIInChI=1S/C12H6Br2ClF3N2/c13-7-1-2-9(8(14)5-7)19-11-4-6(12(16,17)18)3-10(15)20-11/h1-5H,(H,19,20)
InChIKeyHWQWQGHCCHEGGI-UHFFFAOYSA-N
MW430.45 g/mol
LogP6.02
Rot. Bonds2

About 6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715636) has the molecular formula C12H6Br2ClF3N2 and a molecular weight of 430.45 g/mol. Its IUPAC name is 6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715636
Molecular FormulaC12H6Br2ClF3N2
Molecular Weight430.45 g/mol
Exact Mass427.85
IUPAC Name6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Cl)nc(Nc2ccc(Br)cc2Br)c1
InChIInChI=1S/C12H6Br2ClF3N2/c13-7-1-2-9(8(14)5-7)19-11-4-6(12(16,17)18)3-10(15)20-11/h1-5H,(H,19,20)
InChIKeyHWQWQGHCCHEGGI-UHFFFAOYSA-N
XLogP6.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.45
LogP ≤ 56.02
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-bromo-4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile
CID 107792440
N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 107637179
6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715497
N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 107615011
6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717020
6-chloro-N-(2,6-dichlorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715985
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile
CID 102715383
N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 102715658
N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767723
6-chloro-N-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716226
N-(2-bromo-4-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62481305
6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717970

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102715636) is 6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Cl)nc(Nc2ccc(Br)cc2Br)c1.
What is the InChIKey of 6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HWQWQGHCCHEGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2ClF3N2/c13-7-1-2-9(8(14)5-7)19-11-4-6(12(16,17)18)3-10(15)20-11/h1-5H,(H,19,20).
What are the key properties of 6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 430.45 g/mol, XLogP of 6.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).