3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine

C12H7BrClF3N2O — CID 114836594

IUPAC3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1ccccc1Nc1ncc(Cl)cc1Br
InChIInChI=1S/C12H7BrClF3N2O/c13-8-5-7(14)6-18-11(8)19-9-3-1-2-4-10(9)20-12(15,16)17/h1-6H,(H,18,19)
InChIKeyGONNSWVLZVPJGA-UHFFFAOYSA-N
MW367.55 g/mol
LogP5.14
Rot. Bonds3

About 3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine

3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 114836594) has the molecular formula C12H7BrClF3N2O and a molecular weight of 367.55 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID114836594
Molecular FormulaC12H7BrClF3N2O
Molecular Weight367.55 g/mol
Exact Mass365.94
IUPAC Name3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1ccccc1Nc1ncc(Cl)cc1Br
InChIInChI=1S/C12H7BrClF3N2O/c13-8-5-7(14)6-18-11(8)19-9-3-1-2-4-10(9)20-12(15,16)17/h1-6H,(H,18,19)
InChIKeyGONNSWVLZVPJGA-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

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Related Compounds

2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine
CID 107638006
3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine
CID 114836602
3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 114837222
5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
CID 60922508
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine
CID 79727364
3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193591
3-bromo-5-chloro-N-(2-chloro-6-fluorophenyl)pyridin-2-amine
CID 114837428
5-(4-chloro-3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 166882327
3-bromo-5-chloro-N-(4-methyl-3-pyridinyl)pyridin-2-amine
CID 114837095
3-bromo-4-[2-(trifluoromethoxy)anilino]benzonitrile
CID 82785825

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 114836594) is 3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine is FC(F)(F)Oc1ccccc1Nc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is GONNSWVLZVPJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF3N2O/c13-8-5-7(14)6-18-11(8)19-9-3-1-2-4-10(9)20-12(15,16)17/h1-6H,(H,18,19).
What are the key properties of 3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine?
3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-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 3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 114836594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).