2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole

C18H17F3N2O — CID 141247097

IUPAC2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
SMILESCC(C)COc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C18H17F3N2O/c1-11(2)10-24-17-9-22-6-5-14(17)16-8-12-7-13(18(19,20)21)3-4-15(12)23-16/h3-9,11,23H,10H2,1-2H3
InChIKeyIUSQSCPRIBHSBH-UHFFFAOYSA-N
MW334.34 g/mol
LogP5.28
Rot. Bonds4

About 2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole

2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole (PubChem CID 141247097) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
PubChem CID141247097
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
SMILESCC(C)COc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C18H17F3N2O/c1-11(2)10-24-17-9-22-6-5-14(17)16-8-12-7-13(18(19,20)21)3-4-15(12)23-16/h3-9,11,23H,10H2,1-2H3
InChIKeyIUSQSCPRIBHSBH-UHFFFAOYSA-N
XLogP5.28
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247033
2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141246993
N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247005
2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247087
N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247114
2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247036
6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247106
1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene
CID 163970226
2-ethynyl-1-(2-methylpropoxy)-4-(trifluoromethyl)benzene
CID 157049200
2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 158834270
5-tert-butyl-2-pyridin-4-yl-1H-indole
CID 131887138
5-(trifluoromethyl)-2-[3-(1,1,1-trifluoropropan-2-yloxy)-4-pyridinyl]-1,3-benzoxazole
CID 87188578

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole (CID 141247097) is 2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole is CC(C)COc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of 2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole?
The InChIKey is IUSQSCPRIBHSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-11(2)10-24-17-9-22-6-5-14(17)16-8-12-7-13(18(19,20)21)3-4-15(12)23-16/h3-9,11,23H,10H2,1-2H3.
What are the key properties of 2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole?
2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole has a molecular weight of 334.34 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 141247097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).