2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile

C16H10F3N3O — CID 175588176

IUPAC2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile
SMILESCc1cc2c(Oc3ccc(C(F)(F)F)cn3)ccc(C#N)c2[nH]1
InChIInChI=1S/C16H10F3N3O/c1-9-6-12-13(4-2-10(7-20)15(12)22-9)23-14-5-3-11(8-21-14)16(17,18)19/h2-6,8,22H,1H3
InChIKeyVFHVHMBWUKEQEB-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.55
Rot. Bonds2

About 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile

2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile (PubChem CID 175588176) has the molecular formula C16H10F3N3O and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile
PubChem CID175588176
Molecular FormulaC16H10F3N3O
Molecular Weight317.27 g/mol
Exact Mass317.08
IUPAC Name2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile
SMILESCc1cc2c(Oc3ccc(C(F)(F)F)cn3)ccc(C#N)c2[nH]1
InChIInChI=1S/C16H10F3N3O/c1-9-6-12-13(4-2-10(7-20)15(12)22-9)23-14-5-3-11(8-21-14)16(17,18)19/h2-6,8,22H,1H3
InChIKeyVFHVHMBWUKEQEB-UHFFFAOYSA-N
XLogP4.55
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile?
The IUPAC name of 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile (CID 175588176) is 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile.
What is the SMILES notation for 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile?
The canonical SMILES for 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile is Cc1cc2c(Oc3ccc(C(F)(F)F)cn3)ccc(C#N)c2[nH]1.
What is the InChIKey of 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile?
The InChIKey is VFHVHMBWUKEQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O/c1-9-6-12-13(4-2-10(7-20)15(12)22-9)23-14-5-3-11(8-21-14)16(17,18)19/h2-6,8,22H,1H3.
What are the key properties of 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile?
2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile has a molecular weight of 317.27 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile is sourced from PubChem (CID 175588176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).