2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine

C7H4BrF5N2 — CID 130102000

IUPAC2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine
SMILESNc1c(C(F)(F)F)cnc(Br)c1C(F)F
InChIInChI=1S/C7H4BrF5N2/c8-5-3(6(9)10)4(14)2(1-15-5)7(11,12)13/h1,6H,(H2,14,15)
InChIKeyYMNYXLSSEROOQY-UHFFFAOYSA-N
MW291.02 g/mol
LogP3.38
Rot. Bonds1

About 2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine

2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine (PubChem CID 130102000) has the molecular formula C7H4BrF5N2 and a molecular weight of 291.02 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine
PubChem CID130102000
Molecular FormulaC7H4BrF5N2
Molecular Weight291.02 g/mol
Exact Mass289.95
IUPAC Name2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine
SMILESNc1c(C(F)(F)F)cnc(Br)c1C(F)F
InChIInChI=1S/C7H4BrF5N2/c8-5-3(6(9)10)4(14)2(1-15-5)7(11,12)13/h1,6H,(H2,14,15)
InChIKeyYMNYXLSSEROOQY-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.02
LogP ≤ 53.38
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-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
CID 119006850
2-bromo-3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine
CID 130109576
2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118990949
2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118812030
methyl 2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 134671936
methyl 4-amino-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134685827
4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide
CID 118817717
2-[2-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119003826
2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine
CID 118812353
2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol
CID 118993704
3-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-2-amine
CID 119010486
[4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118851075

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine (CID 130102000) is 2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine is Nc1c(C(F)(F)F)cnc(Br)c1C(F)F.
What is the InChIKey of 2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine?
The InChIKey is YMNYXLSSEROOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF5N2/c8-5-3(6(9)10)4(14)2(1-15-5)7(11,12)13/h1,6H,(H2,14,15).
What are the key properties of 2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine?
2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine has a molecular weight of 291.02 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 130102000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).