[5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine

C8H6BrF5N2 — CID 118825637

IUPAC[5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1nc(C(F)F)c(Br)cc1C(F)(F)F
InChIInChI=1S/C8H6BrF5N2/c9-4-1-3(8(12,13)14)5(2-15)16-6(4)7(10)11/h1,7H,2,15H2
InChIKeyJEODEMAPODVGQD-UHFFFAOYSA-N
MW305.04 g/mol
LogP3.26
Rot. Bonds2

About [5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine

[5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 118825637) has the molecular formula C8H6BrF5N2 and a molecular weight of 305.04 g/mol. Its IUPAC name is [5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID118825637
Molecular FormulaC8H6BrF5N2
Molecular Weight305.04 g/mol
Exact Mass303.96
IUPAC Name[5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1nc(C(F)F)c(Br)cc1C(F)(F)F
InChIInChI=1S/C8H6BrF5N2/c9-4-1-3(8(12,13)14)5(2-15)16-6(4)7(10)11/h1,7H,2,15H2
InChIKeyJEODEMAPODVGQD-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

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Related Compounds

[6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070024
2,3-dibromo-6-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 134683525
[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
CID 118820028
5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134674275
2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070048
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
3-bromo-2-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine
CID 130109594
2-(chloromethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)pyridine
CID 118815578
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118853773
6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide
CID 118808682
2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102225
[5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069341

Frequently Asked Questions

What is the IUPAC name of [5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine (CID 118825637) is [5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine is NCc1nc(C(F)F)c(Br)cc1C(F)(F)F.
What is the InChIKey of [5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is JEODEMAPODVGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF5N2/c9-4-1-3(8(12,13)14)5(2-15)16-6(4)7(10)11/h1,7H,2,15H2.
What are the key properties of [5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine?
[5-bromo-6-(difluoromethyl)-3-(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 [5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 118825637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).