2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole

C16H13F3N2O — CID 141247033

IUPAC2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
SMILESCCOc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C16H13F3N2O/c1-2-22-15-9-20-6-5-12(15)14-8-10-7-11(16(17,18)19)3-4-13(10)21-14/h3-9,21H,2H2,1H3
InChIKeyJXCYRXQRCACMLP-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.65
Rot. Bonds3

About 2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole

2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole (PubChem CID 141247033) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
PubChem CID141247033
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
SMILESCCOc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C16H13F3N2O/c1-2-22-15-9-20-6-5-12(15)14-8-10-7-11(16(17,18)19)3-4-13(10)21-14/h3-9,21H,2H2,1H3
InChIKeyJXCYRXQRCACMLP-UHFFFAOYSA-N
XLogP4.65
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247097
2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141246993
N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247114
2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247087
N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247005
2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247036
6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247106
2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 158834270
1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine
CID 136985773
5-tert-butyl-2-pyridin-4-yl-1H-indole
CID 131887138
2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 164892008
2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 52919792

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole (CID 141247033) is 2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole is CCOc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of 2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
The InChIKey is JXCYRXQRCACMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-2-22-15-9-20-6-5-12(15)14-8-10-7-11(16(17,18)19)3-4-13(10)21-14/h3-9,21H,2H2,1H3.
What are the key properties of 2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole has a molecular weight of 306.29 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 141247033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).