3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine

C19H16F3N3 — CID 175748083

IUPAC3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine
SMILESCCc1cc(-c2ccccc2-c2ccc(C(F)(F)F)nc2)cnc1N
InChIInChI=1S/C19H16F3N3/c1-2-12-9-14(11-25-18(12)23)16-6-4-3-5-15(16)13-7-8-17(24-10-13)19(20,21)22/h3-11H,2H2,1H3,(H2,23,25)
InChIKeyLDZFJLWHTWTKMW-UHFFFAOYSA-N
MW343.35 g/mol
LogP4.97
Rot. Bonds3

About 3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine

3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine (PubChem CID 175748083) has the molecular formula C19H16F3N3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine
PubChem CID175748083
Molecular FormulaC19H16F3N3
Molecular Weight343.35 g/mol
Exact Mass343.13
IUPAC Name3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine
SMILESCCc1cc(-c2ccccc2-c2ccc(C(F)(F)F)nc2)cnc1N
InChIInChI=1S/C19H16F3N3/c1-2-12-9-14(11-25-18(12)23)16-6-4-3-5-15(16)13-7-8-17(24-10-13)19(20,21)22/h3-11H,2H2,1H3,(H2,23,25)
InChIKeyLDZFJLWHTWTKMW-UHFFFAOYSA-N
XLogP4.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine?
The IUPAC name of 3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine (CID 175748083) is 3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine?
The canonical SMILES for 3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine is CCc1cc(-c2ccccc2-c2ccc(C(F)(F)F)nc2)cnc1N.
What is the InChIKey of 3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine?
The InChIKey is LDZFJLWHTWTKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3/c1-2-12-9-14(11-25-18(12)23)16-6-4-3-5-15(16)13-7-8-17(24-10-13)19(20,21)22/h3-11H,2H2,1H3,(H2,23,25).
What are the key properties of 3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine?
3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine has a molecular weight of 343.35 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 175748083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).