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

C16H13ClF3NO — CID 2801307

IUPAC3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine
SMILESCc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c2c1CCC2
InChIInChI=1S/C16H13ClF3NO/c1-9-5-6-14(12-4-2-3-11(9)12)22-15-13(17)7-10(8-21-15)16(18,19)20/h5-8H,2-4H2,1H3
InChIKeyRNMYVIMYWZMLRX-UHFFFAOYSA-N
MW327.73 g/mol
LogP5.34
Rot. Bonds2

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

3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine (PubChem CID 2801307) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is 3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine
PubChem CID2801307
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC Name3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine
SMILESCc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c2c1CCC2
InChIInChI=1S/C16H13ClF3NO/c1-9-5-6-14(12-4-2-3-11(9)12)22-15-13(17)7-10(8-21-15)16(18,19)20/h5-8H,2-4H2,1H3
InChIKeyRNMYVIMYWZMLRX-UHFFFAOYSA-N
XLogP5.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.73
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine (CID 2801307) is 3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine is Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c2c1CCC2.
What is the InChIKey of 3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine?
The InChIKey is RNMYVIMYWZMLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-9-5-6-14(12-4-2-3-11(9)12)22-15-13(17)7-10(8-21-15)16(18,19)20/h5-8H,2-4H2,1H3.
What are the key properties of 3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine?
3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine has a molecular weight of 327.73 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2801307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).