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

C7H5BrClF3N2O — CID 131607030

IUPAC[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(OC(F)(F)F)c(Br)c1Cl
InChIInChI=1S/C7H5BrClF3N2O/c8-4-5(9)3(1-13)2-14-6(4)15-7(10,11)12/h2H,1,13H2
InChIKeyUTHNRURSBPWKEM-UHFFFAOYSA-N
MW305.48 g/mol
LogP2.85
Rot. Bonds2

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

[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 131607030) has the molecular formula C7H5BrClF3N2O and a molecular weight of 305.48 g/mol. Its IUPAC name is [5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID131607030
Molecular FormulaC7H5BrClF3N2O
Molecular Weight305.48 g/mol
Exact Mass303.92
IUPAC Name[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(OC(F)(F)F)c(Br)c1Cl
InChIInChI=1S/C7H5BrClF3N2O/c8-4-5(9)3(1-13)2-14-6(4)15-7(10,11)12/h2H,1,13H2
InChIKeyUTHNRURSBPWKEM-UHFFFAOYSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131464640
4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521298
4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine
CID 133085758
[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131465423
5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086175
[5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134664983
[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112708
[4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089739
[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 133085828
[3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131527147
[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089748

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 131607030) is [5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine is NCc1cnc(OC(F)(F)F)c(Br)c1Cl.
What is the InChIKey of [5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is UTHNRURSBPWKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF3N2O/c8-4-5(9)3(1-13)2-14-6(4)15-7(10,11)12/h2H,1,13H2.
What are the key properties of [5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine has a molecular weight of 305.48 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 131607030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).