3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

C18H14F3N3O2 — CID 71461082

IUPAC3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cnc2N)cn1
InChIInChI=1S/C18H14F3N3O2/c1-25-16-7-4-12(9-23-16)15-8-13(10-24-17(15)22)11-2-5-14(6-3-11)26-18(19,20)21/h2-10H,1H3,(H2,22,24)
InChIKeyAXEKVPBUGPGISS-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.30
Rot. Bonds4

About 3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 71461082) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID71461082
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cnc2N)cn1
InChIInChI=1S/C18H14F3N3O2/c1-25-16-7-4-12(9-23-16)15-8-13(10-24-17(15)22)11-2-5-14(6-3-11)26-18(19,20)21/h2-10H,1H3,(H2,22,24)
InChIKeyAXEKVPBUGPGISS-UHFFFAOYSA-N
XLogP4.30
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 71461082) is 3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is COc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cnc2N)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is AXEKVPBUGPGISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-25-16-7-4-12(9-23-16)15-8-13(10-24-17(15)22)11-2-5-14(6-3-11)26-18(19,20)21/h2-10H,1H3,(H2,22,24).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 361.32 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 71461082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).