5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine

C14H13F3N2 — CID 66691557

IUPAC5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESCCc1cnc(-c2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C14H13F3N2/c1-2-9-8-19-13(7-12(9)18)10-3-5-11(6-4-10)14(15,16)17/h3-8H,2H2,1H3,(H2,18,19)
InChIKeySBKZMIPLWWRJGU-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.91
Rot. Bonds2

About 5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine

5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine (PubChem CID 66691557) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine.

Molecular Properties

Compound Name5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine
PubChem CID66691557
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESCCc1cnc(-c2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C14H13F3N2/c1-2-9-8-19-13(7-12(9)18)10-3-5-11(6-4-10)14(15,16)17/h3-8H,2H2,1H3,(H2,18,19)
InChIKeySBKZMIPLWWRJGU-UHFFFAOYSA-N
XLogP3.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine?
The IUPAC name of 5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine (CID 66691557) is 5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine.
What is the SMILES notation for 5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine?
The canonical SMILES for 5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine is CCc1cnc(-c2ccc(C(F)(F)F)cc2)cc1N.
What is the InChIKey of 5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine?
The InChIKey is SBKZMIPLWWRJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-2-9-8-19-13(7-12(9)18)10-3-5-11(6-4-10)14(15,16)17/h3-8H,2H2,1H3,(H2,18,19).
What are the key properties of 5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine?
5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine has a molecular weight of 266.27 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine is sourced from PubChem (CID 66691557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).