[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine

C7H5BrF4N2O — CID 131570412

IUPAC[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(OC(F)(F)F)c(F)c1Br
InChIInChI=1S/C7H5BrF4N2O/c8-4-3(1-13)2-14-6(5(4)9)15-7(10,11)12/h2H,1,13H2
InChIKeyOMUYQFFKWSFMHP-UHFFFAOYSA-N
MW289.03 g/mol
LogP2.34
Rot. Bonds2

About [4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine

[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 131570412) has the molecular formula C7H5BrF4N2O and a molecular weight of 289.03 g/mol. Its IUPAC name is [4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID131570412
Molecular FormulaC7H5BrF4N2O
Molecular Weight289.03 g/mol
Exact Mass287.95
IUPAC Name[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(OC(F)(F)F)c(F)c1Br
InChIInChI=1S/C7H5BrF4N2O/c8-4-3(1-13)2-14-6(5(4)9)15-7(10,11)12/h2H,1,13H2
InChIKeyOMUYQFFKWSFMHP-UHFFFAOYSA-N
XLogP2.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.03
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086175
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131464640
4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521298
[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112708
[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130094285
ethyl 2-[4-(aminomethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677113
2-[4-bromo-5-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118811704
[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 133085828
[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666595
5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134675645
[5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134664983

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 131570412) is [4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine is NCc1cnc(OC(F)(F)F)c(F)c1Br.
What is the InChIKey of [4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is OMUYQFFKWSFMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF4N2O/c8-4-3(1-13)2-14-6(5(4)9)15-7(10,11)12/h2H,1,13H2.
What are the key properties of [4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine has a molecular weight of 289.03 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 131570412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).