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

C8H6BrF5N2 — CID 130070007

IUPAC[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1c(C(F)(F)F)ncc(C(F)F)c1Br
InChIInChI=1S/C8H6BrF5N2/c9-5-3(1-15)6(8(12,13)14)16-2-4(5)7(10)11/h2,7H,1,15H2
InChIKeyOJGDYHBVKDWUCQ-UHFFFAOYSA-N
MW305.04 g/mol
LogP3.26
Rot. Bonds2

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

[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 130070007) has the molecular formula C8H6BrF5N2 and a molecular weight of 305.04 g/mol. Its IUPAC name is [4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID130070007
Molecular FormulaC8H6BrF5N2
Molecular Weight305.04 g/mol
Exact Mass303.96
IUPAC Name[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1c(C(F)(F)F)ncc(C(F)F)c1Br
InChIInChI=1S/C8H6BrF5N2/c9-5-3(1-15)6(8(12,13)14)16-2-4(5)7(10)11/h2,7H,1,15H2
InChIKeyOJGDYHBVKDWUCQ-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

3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 118850626
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130074919
[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084912
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384
[3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118831112
2-[3-(aminomethyl)-4-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134667546
2-[3-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685821
[5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118846102
[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118803013
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118839353
[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088386
5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)pyridin-4-amine
CID 118829110

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine (CID 130070007) is [4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1c(C(F)(F)F)ncc(C(F)F)c1Br.
What is the InChIKey of [4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is OJGDYHBVKDWUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF5N2/c9-5-3(1-15)6(8(12,13)14)16-2-4(5)7(10)11/h2,7H,1,15H2.
What are the key properties of [4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine?
[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-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 [4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 130070007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).