6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine

C7H4BrF5N2O — CID 119009809

IUPAC6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(Br)c(OC(F)(F)F)cc1C(F)F
InChIInChI=1S/C7H4BrF5N2O/c8-4-3(16-7(11,12)13)1-2(5(9)10)6(14)15-4/h1,5H,(H2,14,15)
InChIKeyWTTDOEHCBBEQHO-UHFFFAOYSA-N
MW307.02 g/mol
LogP3.26
Rot. Bonds2

About 6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine

6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119009809) has the molecular formula C7H4BrF5N2O and a molecular weight of 307.02 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID119009809
Molecular FormulaC7H4BrF5N2O
Molecular Weight307.02 g/mol
Exact Mass305.94
IUPAC Name6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(Br)c(OC(F)(F)F)cc1C(F)F
InChIInChI=1S/C7H4BrF5N2O/c8-4-3(16-7(11,12)13)1-2(5(9)10)6(14)15-4/h1,5H,(H2,14,15)
InChIKeyWTTDOEHCBBEQHO-UHFFFAOYSA-N
XLogP3.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.02
LogP ≤ 53.26
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

3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
CID 119022211
[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 119008282
6-bromo-3-(difluoromethyl)pyridine-2,5-diamine
CID 119017284
6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118992472
5-bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 118999839
3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridin-2-amine
CID 119019307
4-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119006704
6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119009701
2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine
CID 119009127
5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 134666852
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119005302
5-bromo-3-(difluoromethyl)-6-methylpyridin-2-amine
CID 130101784

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine (CID 119009809) is 6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine is Nc1nc(Br)c(OC(F)(F)F)cc1C(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is WTTDOEHCBBEQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF5N2O/c8-4-3(16-7(11,12)13)1-2(5(9)10)6(14)15-4/h1,5H,(H2,14,15).
What are the key properties of 6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine?
6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 307.02 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119009809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).