4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole

C16H13F3N2O — CID 161055825

IUPAC4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole
SMILESCOc1nccc(C)c1-c1cc(C(F)(F)F)cc2c1C=NC2
InChIInChI=1S/C16H13F3N2O/c1-9-3-4-21-15(22-2)14(9)12-6-11(16(17,18)19)5-10-7-20-8-13(10)12/h3-6,8H,7H2,1-2H3
InChIKeyUCSRTPSWSGVLDW-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.02
Rot. Bonds2

About 4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole

4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole (PubChem CID 161055825) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole.

Molecular Properties

Compound Name4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole
PubChem CID161055825
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole
SMILESCOc1nccc(C)c1-c1cc(C(F)(F)F)cc2c1C=NC2
InChIInChI=1S/C16H13F3N2O/c1-9-3-4-21-15(22-2)14(9)12-6-11(16(17,18)19)5-10-7-20-8-13(10)12/h3-6,8H,7H2,1-2H3
InChIKeyUCSRTPSWSGVLDW-UHFFFAOYSA-N
XLogP4.02
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole?
The IUPAC name of 4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole (CID 161055825) is 4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole.
What is the SMILES notation for 4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole?
The canonical SMILES for 4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole is COc1nccc(C)c1-c1cc(C(F)(F)F)cc2c1C=NC2.
What is the InChIKey of 4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole?
The InChIKey is UCSRTPSWSGVLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-9-3-4-21-15(22-2)14(9)12-6-11(16(17,18)19)5-10-7-20-8-13(10)12/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole?
4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole has a molecular weight of 306.29 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole is sourced from PubChem (CID 161055825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).