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

C16H14F3NO — CID 2801313

IUPAC2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(trifluoromethyl)pyridine
SMILESCc1ccc(Oc2ncccc2C(F)(F)F)c2c1CCC2
InChIInChI=1S/C16H14F3NO/c1-10-7-8-14(12-5-2-4-11(10)12)21-15-13(16(17,18)19)6-3-9-20-15/h3,6-9H,2,4-5H2,1H3
InChIKeyQMMJQTMJJOOWJG-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.69
Rot. Bonds2

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

2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(trifluoromethyl)pyridine (PubChem CID 2801313) 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]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(trifluoromethyl)pyridine
PubChem CID2801313
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(trifluoromethyl)pyridine
SMILESCc1ccc(Oc2ncccc2C(F)(F)F)c2c1CCC2
InChIInChI=1S/C16H14F3NO/c1-10-7-8-14(12-5-2-4-11(10)12)21-15-13(16(17,18)19)6-3-9-20-15/h3,6-9H,2,4-5H2,1H3
InChIKeyQMMJQTMJJOOWJG-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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Related Compounds

3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769
(3-Pyridylmethylene)indane 11b
CID 6539770
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
(3-Pyridylmethylene)indane 26a
CID 6539776
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(trifluoromethyl)pyridine (CID 2801313) is 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(trifluoromethyl)pyridine is Cc1ccc(Oc2ncccc2C(F)(F)F)c2c1CCC2.
What is the InChIKey of 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(trifluoromethyl)pyridine?
The InChIKey is QMMJQTMJJOOWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-10-7-8-14(12-5-2-4-11(10)12)21-15-13(16(17,18)19)6-3-9-20-15/h3,6-9H,2,4-5H2,1H3.
What are the key properties of 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(trifluoromethyl)pyridine?
2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(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]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 2801313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).