[6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine

C8H6BrF5N2 — CID 130069997

IUPAC[6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)c(C(F)(F)F)c(Br)n1
InChIInChI=1S/C8H6BrF5N2/c9-6-5(8(12,13)14)4(7(10)11)1-3(2-15)16-6/h1,7H,2,15H2
InChIKeyZLBLPHWENXKHGC-UHFFFAOYSA-N
MW305.04 g/mol
LogP3.26
Rot. Bonds2

About [6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine

[6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 130069997) has the molecular formula C8H6BrF5N2 and a molecular weight of 305.04 g/mol. Its IUPAC name is [6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID130069997
Molecular FormulaC8H6BrF5N2
Molecular Weight305.04 g/mol
Exact Mass303.96
IUPAC Name[6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)c(C(F)(F)F)c(Br)n1
InChIInChI=1S/C8H6BrF5N2/c9-6-5(8(12,13)14)4(7(10)11)1-3(2-15)16-6/h1,7H,2,15H2
InChIKeyZLBLPHWENXKHGC-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.04
LogP ≤ 53.26
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

2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine
CID 130109578
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 130098957
[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130068701
6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 118995559
methyl 6-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134673656
[3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118831112
6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070493
6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084808
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118817542
[6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070024
[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 130071688
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol
CID 118803957

Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 130069997) is [6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine is NCc1cc(C(F)F)c(C(F)(F)F)c(Br)n1.
What is the InChIKey of [6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is ZLBLPHWENXKHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF5N2/c9-6-5(8(12,13)14)4(7(10)11)1-3(2-15)16-6/h1,7H,2,15H2.
What are the key properties of [6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine?
[6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 305.04 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 130069997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).