[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

C8H8ClF3N2O — CID 62290634

IUPAC[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H8ClF3N2O/c9-6-1-5(2-13)3-14-7(6)15-4-8(10,11)12/h1,3H,2,4,13H2
InChIKeySEFIOIHTNVIAIL-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.13
Rot. Bonds3

About [5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (PubChem CID 62290634) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is [5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
PubChem CID62290634
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H8ClF3N2O/c9-6-1-5(2-13)3-14-7(6)15-4-8(10,11)12/h1,3H,2,4,13H2
InChIKeySEFIOIHTNVIAIL-UHFFFAOYSA-N
XLogP2.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (CID 62290634) is [5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is NCc1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of [5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The InChIKey is SEFIOIHTNVIAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c9-6-1-5(2-13)3-14-7(6)15-4-8(10,11)12/h1,3H,2,4,13H2.
What are the key properties of [5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine has a molecular weight of 240.61 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 62290634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).