2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine

C16H14F3NO — CID 2801314

IUPAC2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine
SMILESCc1ccc(Oc2ccc(C(F)(F)F)cn2)c2c1CCC2
InChIInChI=1S/C16H14F3NO/c1-10-5-7-14(13-4-2-3-12(10)13)21-15-8-6-11(9-20-15)16(17,18)19/h5-9H,2-4H2,1H3
InChIKeyPMDGXRZLFXPJOK-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.69
Rot. Bonds2

About 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine

2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine (PubChem CID 2801314) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine
PubChem CID2801314
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine
SMILESCc1ccc(Oc2ccc(C(F)(F)F)cn2)c2c1CCC2
InChIInChI=1S/C16H14F3NO/c1-10-5-7-14(13-4-2-3-12(10)13)21-15-8-6-11(9-20-15)16(17,18)19/h5-9H,2-4H2,1H3
InChIKeyPMDGXRZLFXPJOK-UHFFFAOYSA-N
XLogP4.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine (CID 2801314) is 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine is Cc1ccc(Oc2ccc(C(F)(F)F)cn2)c2c1CCC2.
What is the InChIKey of 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine?
The InChIKey is PMDGXRZLFXPJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-10-5-7-14(13-4-2-3-12(10)13)21-15-8-6-11(9-20-15)16(17,18)19/h5-9H,2-4H2,1H3.
What are the key properties of 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine?
2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine has a molecular weight of 293.29 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2801314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).