N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine

C12H7BrClF3N2O — CID 107336659

IUPACN-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2cccc(Cl)n2)cc1Br
InChIInChI=1S/C12H7BrClF3N2O/c13-8-6-7(4-5-9(8)20-12(15,16)17)18-11-3-1-2-10(14)19-11/h1-6H,(H,18,19)
InChIKeyRNHDXEAGHYMZMC-UHFFFAOYSA-N
MW367.55 g/mol
LogP5.14
Rot. Bonds3

About N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine

N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine (PubChem CID 107336659) has the molecular formula C12H7BrClF3N2O and a molecular weight of 367.55 g/mol. Its IUPAC name is N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine
PubChem CID107336659
Molecular FormulaC12H7BrClF3N2O
Molecular Weight367.55 g/mol
Exact Mass365.94
IUPAC NameN-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2cccc(Cl)n2)cc1Br
InChIInChI=1S/C12H7BrClF3N2O/c13-8-6-7(4-5-9(8)20-12(15,16)17)18-11-3-1-2-10(14)19-11/h1-6H,(H,18,19)
InChIKeyRNHDXEAGHYMZMC-UHFFFAOYSA-N
XLogP5.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine
CID 107335763
4-N-[3-bromo-4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 107336858
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine
CID 102714502
6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63588805
[3-bromo-4-(trifluoromethoxy)phenyl]hydrazine
CID 118818953
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]pyrimidine-2,5-diamine
CID 107335782
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-methylbenzene-1,2-diamine
CID 107335791
N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine
CID 90292040
3-N-[3-bromo-4-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine
CID 107336862
4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 65485739
6-chloro-N-(4-fluorophenyl)pyridin-2-amine;2,6-dichloropyridine
CID 160664212
6-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 63585961

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine?
The IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine (CID 107336659) is N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine.
What is the SMILES notation for N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine?
The canonical SMILES for N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine is FC(F)(F)Oc1ccc(Nc2cccc(Cl)n2)cc1Br.
What is the InChIKey of N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine?
The InChIKey is RNHDXEAGHYMZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF3N2O/c13-8-6-7(4-5-9(8)20-12(15,16)17)18-11-3-1-2-10(14)19-11/h1-6H,(H,18,19).
What are the key properties of N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine?
N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine has a molecular weight of 367.55 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine is sourced from PubChem (CID 107336659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).