4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole

C15H11F3N2O — CID 158108399

IUPAC4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole
SMILESCOc1cncc(-c2cc(C(F)(F)F)cc3c2C=NC3)c1
InChIInChI=1S/C15H11F3N2O/c1-21-12-3-10(6-19-7-12)13-4-11(15(16,17)18)2-9-5-20-8-14(9)13/h2-4,6-8H,5H2,1H3
InChIKeyFQCSMDKZVIYNBM-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.71
Rot. Bonds2

About 4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole

4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole (PubChem CID 158108399) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole.

Molecular Properties

Compound Name4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole
PubChem CID158108399
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole
SMILESCOc1cncc(-c2cc(C(F)(F)F)cc3c2C=NC3)c1
InChIInChI=1S/C15H11F3N2O/c1-21-12-3-10(6-19-7-12)13-4-11(15(16,17)18)2-9-5-20-8-14(9)13/h2-4,6-8H,5H2,1H3
InChIKeyFQCSMDKZVIYNBM-UHFFFAOYSA-N
XLogP3.71
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole?
The IUPAC name of 4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole (CID 158108399) is 4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole.
What is the SMILES notation for 4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole?
The canonical SMILES for 4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole is COc1cncc(-c2cc(C(F)(F)F)cc3c2C=NC3)c1.
What is the InChIKey of 4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole?
The InChIKey is FQCSMDKZVIYNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-21-12-3-10(6-19-7-12)13-4-11(15(16,17)18)2-9-5-20-8-14(9)13/h2-4,6-8H,5H2,1H3.
What are the key properties of 4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole?
4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole has a molecular weight of 292.26 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole is sourced from PubChem (CID 158108399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).