4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine

C8H6BrF5N2 — CID 130107064

IUPAC4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(CBr)c(C(F)(F)F)c(C(F)F)n1
InChIInChI=1S/C8H6BrF5N2/c9-2-3-1-4(15)16-6(7(10)11)5(3)8(12,13)14/h1,7H,2H2,(H2,15,16)
InChIKeyGCFYMHWJTXQTPE-UHFFFAOYSA-N
MW305.04 g/mol
LogP3.52
Rot. Bonds2

About 4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine

4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 130107064) has the molecular formula C8H6BrF5N2 and a molecular weight of 305.04 g/mol. Its IUPAC name is 4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID130107064
Molecular FormulaC8H6BrF5N2
Molecular Weight305.04 g/mol
Exact Mass303.96
IUPAC Name4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(CBr)c(C(F)(F)F)c(C(F)F)n1
InChIInChI=1S/C8H6BrF5N2/c9-2-3-1-4(15)16-6(7(10)11)5(3)8(12,13)14/h1,7H,2H2,(H2,15,16)
InChIKeyGCFYMHWJTXQTPE-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070176
5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 130107066
[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol
CID 130107153
4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
CID 130106809
6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2,5-diamine
CID 134672254
4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine
CID 130106319
6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134670040
ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134683777
2-(difluoromethyl)-6-methyl-3-(trifluoromethyl)pyridin-4-amine
CID 118828414
5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
CID 130087042
[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 130107727
3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 130075114

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 130107064) is 4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine is Nc1cc(CBr)c(C(F)(F)F)c(C(F)F)n1.
What is the InChIKey of 4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GCFYMHWJTXQTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF5N2/c9-2-3-1-4(15)16-6(7(10)11)5(3)8(12,13)14/h1,7H,2H2,(H2,15,16).
What are the key properties of 4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine?
4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 305.04 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 130107064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).