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

C16H13F3N2 — CID 141246993

IUPAC2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
SMILESCCc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C16H13F3N2/c1-2-10-9-20-6-5-13(10)15-8-11-7-12(16(17,18)19)3-4-14(11)21-15/h3-9,21H,2H2,1H3
InChIKeyVXDVQSGXBMFMOM-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.81
Rot. Bonds2

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

2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole (PubChem CID 141246993) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
PubChem CID141246993
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
SMILESCCc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C16H13F3N2/c1-2-10-9-20-6-5-13(10)15-8-11-7-12(16(17,18)19)3-4-14(11)21-15/h3-9,21H,2H2,1H3
InChIKeyVXDVQSGXBMFMOM-UHFFFAOYSA-N
XLogP4.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247114
2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247033
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-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247097
2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247036
2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 66880572
5-tert-butyl-2-pyridin-4-yl-1H-indole
CID 131887138
1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine
CID 136985773
[5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 117195095
6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247106
2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid
CID 68754879

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole (CID 141246993) is 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole is CCc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
The InChIKey is VXDVQSGXBMFMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c1-2-10-9-20-6-5-13(10)15-8-11-7-12(16(17,18)19)3-4-14(11)21-15/h3-9,21H,2H2,1H3.
What are the key properties of 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole has a molecular weight of 290.29 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 141246993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).