6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine

C6H3BrClF3N2O — CID 131029007

IUPAC6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine
SMILESNc1cc(Cl)c(OC(F)(F)F)c(Br)n1
InChIInChI=1S/C6H3BrClF3N2O/c7-5-4(14-6(9,10)11)2(8)1-3(12)13-5/h1H,(H2,12,13)
InChIKeyVNUNCIYRLBLGIF-UHFFFAOYSA-N
MW291.45 g/mol
LogP2.98
Rot. Bonds1

About 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine

6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 131029007) has the molecular formula C6H3BrClF3N2O and a molecular weight of 291.45 g/mol. Its IUPAC name is 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID131029007
Molecular FormulaC6H3BrClF3N2O
Molecular Weight291.45 g/mol
Exact Mass289.91
IUPAC Name6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine
SMILESNc1cc(Cl)c(OC(F)(F)F)c(Br)n1
InChIInChI=1S/C6H3BrClF3N2O/c7-5-4(14-6(9,10)11)2(8)1-3(12)13-5/h1H,(H2,12,13)
InChIKeyVNUNCIYRLBLGIF-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 52.98
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

4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine
CID 130093745
4-chloro-6-fluoro-5-(trifluoromethoxy)pyridin-2-amine
CID 131190696
[4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130093865
6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131492432
3-chloro-5-fluoro-2-(trifluoromethoxy)aniline
CID 130792876
5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 131011038
5-amino-3-chloro-2-(trifluoromethoxy)phenol
CID 130820581
2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine
CID 119012985
2-bromo-6-iodo-4-methyl-3-(trifluoromethoxy)pyridine
CID 119006523
6-bromo-4-chloroquinolin-2-amine
CID 154853425
2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine
CID 130093565
3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine
CID 118833754

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine (CID 131029007) is 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine is Nc1cc(Cl)c(OC(F)(F)F)c(Br)n1.
What is the InChIKey of 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is VNUNCIYRLBLGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF3N2O/c7-5-4(14-6(9,10)11)2(8)1-3(12)13-5/h1H,(H2,12,13).
What are the key properties of 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine?
6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 291.45 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 131029007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).