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

C8H6BrF5N2 — CID 118831112

IUPAC[3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1ncc(C(F)F)c(C(F)(F)F)c1Br
InChIInChI=1S/C8H6BrF5N2/c9-6-4(1-15)16-2-3(7(10)11)5(6)8(12,13)14/h2,7H,1,15H2
InChIKeyIBAOYWCRWXVBPT-UHFFFAOYSA-N
MW305.04 g/mol
LogP3.26
Rot. Bonds2

About [3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine

[3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 118831112) has the molecular formula C8H6BrF5N2 and a molecular weight of 305.04 g/mol. Its IUPAC name is [3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID118831112
Molecular FormulaC8H6BrF5N2
Molecular Weight305.04 g/mol
Exact Mass303.96
IUPAC Name[3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1ncc(C(F)F)c(C(F)(F)F)c1Br
InChIInChI=1S/C8H6BrF5N2/c9-6-4(1-15)16-2-3(7(10)11)5(6)8(12,13)14/h2,7H,1,15H2
InChIKeyIBAOYWCRWXVBPT-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

4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070201
[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118803013
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562
[3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130107745
[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070007
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 118990855
[5-(difluoromethyl)-3,4-diiodo-2-pyridinyl]methanamine
CID 118848069
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667801
3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107332
[6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 130069997
6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 118847980
3-(bromomethyl)-5-(difluoromethyl)-2-fluoro-4-(trifluoromethyl)pyridine
CID 130081733

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine (CID 118831112) is [3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine is NCc1ncc(C(F)F)c(C(F)(F)F)c1Br.
What is the InChIKey of [3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is IBAOYWCRWXVBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF5N2/c9-6-4(1-15)16-2-3(7(10)11)5(6)8(12,13)14/h2,7H,1,15H2.
What are the key properties of [3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine?
[3-bromo-5-(difluoromethyl)-4-(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 [3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 118831112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).