2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine

C8H8ClF3N2 — CID 11961968

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESNCCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H8ClF3N2/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13/h3-4H,1-2,13H2
InChIKeyBEESBQNARXNIDL-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.26
Rot. Bonds2

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine (PubChem CID 11961968) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine
PubChem CID11961968
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESNCCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H8ClF3N2/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13/h3-4H,1-2,13H2
InChIKeyBEESBQNARXNIDL-UHFFFAOYSA-N
XLogP2.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine (CID 11961968) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine is NCCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The InChIKey is BEESBQNARXNIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13/h3-4H,1-2,13H2.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine has a molecular weight of 224.61 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 11961968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).