7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol

C17H15F3N2O — CID 90861991

IUPAC7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol
SMILESCc1cc(-c2cccnc2)cc2cn(C(C)C(F)(F)F)c(O)c12
InChIInChI=1S/C17H15F3N2O/c1-10-6-13(12-4-3-5-21-8-12)7-14-9-22(16(23)15(10)14)11(2)17(18,19)20/h3-9,11,23H,1-2H3
InChIKeyXLHFBEJGCMXEPT-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.84
Rot. Bonds2

About 7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol

7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol (PubChem CID 90861991) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol.

Molecular Properties

Compound Name7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol
PubChem CID90861991
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol
SMILESCc1cc(-c2cccnc2)cc2cn(C(C)C(F)(F)F)c(O)c12
InChIInChI=1S/C17H15F3N2O/c1-10-6-13(12-4-3-5-21-8-12)7-14-9-22(16(23)15(10)14)11(2)17(18,19)20/h3-9,11,23H,1-2H3
InChIKeyXLHFBEJGCMXEPT-UHFFFAOYSA-N
XLogP4.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3h-Imidazo[4,5-C]pyridin-2-Yl)-3,4-Dihydropyrido[2,1-A]isoindol-6(2h)-One
CID 135566392
2-(1-Methyl-1H-pyrrol-2-ylmethyl)-naphthalen-1-ol
CID 15617856
1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a]-isoindole-6-one
CID 136360144
(1Z)-1-imidazo[4,5-c]pyridin-2-ylidene-3,4-dihydro-2H-pyrido[1,2-b]isoindol-6-ol
CID 135510969
2-methyl-3-(pyridin-3-ylmethyl)-1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]indol-5-ol
CID 25235785
2-Methyl-4-[2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-4,9-dihydrobenzo[f]isoindole-1,3-diol
CID 54064308
4-(6-Ethyl-4-methylindol-1-yl)-2-fluorophenol
CID 68199547
2-Methyl-3-(pyridin-3-ylmethyl)-1-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]indol-5-ol
CID 74411758
6-((4-Ethylpiperazin-1-yl)(4-(trifluoromethyl)phenyl)methyl)isoquinolin-5-ol
CID 74538682
[7-Methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol
CID 90133319
[7-Methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol
CID 90133481
5-[(1-Ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90686906

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol?
The IUPAC name of 7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol (CID 90861991) is 7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol.
What is the SMILES notation for 7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol?
The canonical SMILES for 7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol is Cc1cc(-c2cccnc2)cc2cn(C(C)C(F)(F)F)c(O)c12.
What is the InChIKey of 7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol?
The InChIKey is XLHFBEJGCMXEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-10-6-13(12-4-3-5-21-8-12)7-14-9-22(16(23)15(10)14)11(2)17(18,19)20/h3-9,11,23H,1-2H3.
What are the key properties of 7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol?
7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol has a molecular weight of 320.31 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-pyridin-3-yl-2-(1,1,1-trifluoropropan-2-yl)isoindol-1-ol is sourced from PubChem (CID 90861991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).