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

C8H6BrF5N2 — CID 130107066

IUPAC5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(CBr)c(C(F)F)n1
InChIInChI=1S/C8H6BrF5N2/c9-2-3-4(8(12,13)14)1-5(15)16-6(3)7(10)11/h1,7H,2H2,(H2,15,16)
InChIKeyWRRYZIGVUPODNC-UHFFFAOYSA-N
MW305.04 g/mol
LogP3.52
Rot. Bonds2

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

5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 130107066) has the molecular formula C8H6BrF5N2 and a molecular weight of 305.04 g/mol. Its IUPAC name is 5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID130107066
Molecular FormulaC8H6BrF5N2
Molecular Weight305.04 g/mol
Exact Mass303.96
IUPAC Name5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(CBr)c(C(F)F)n1
InChIInChI=1S/C8H6BrF5N2/c9-2-3-4(8(12,13)14)1-5(15)16-6(3)7(10)11/h1,7H,2H2,(H2,15,16)
InChIKeyWRRYZIGVUPODNC-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

3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
CID 130087013
2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671561
6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2,5-diamine
CID 134672254
4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 130107064
[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol
CID 130107153
6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 119002293
5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
CID 130087042
3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine
CID 130105324
6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 134668697
5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130075134
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107147
3-(bromomethyl)-4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130075107

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 130107066) is 5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(CBr)c(C(F)F)n1.
What is the InChIKey of 5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WRRYZIGVUPODNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF5N2/c9-2-3-4(8(12,13)14)1-5(15)16-6(3)7(10)11/h1,7H,2H2,(H2,15,16).
What are the key properties of 5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine?
5-(bromomethyl)-6-(difluoromethyl)-4-(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 5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 130107066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).