5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine

C18H17F3N2O2 — CID 143015150

IUPAC5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1nc2c(C)cn(C)c2cc1C
InChIInChI=1S/C18H17F3N2O2/c1-10-7-14-17(11(2)9-23(14)3)22-16(10)13-6-5-12(8-15(13)24-4)25-18(19,20)21/h5-9H,1-4H3
InChIKeyPURIOSJALJXGNM-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.76
Rot. Bonds3

About 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine

5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine (PubChem CID 143015150) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine
PubChem CID143015150
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1nc2c(C)cn(C)c2cc1C
InChIInChI=1S/C18H17F3N2O2/c1-10-7-14-17(11(2)9-23(14)3)22-16(10)13-6-5-12(8-15(13)24-4)25-18(19,20)21/h5-9H,1-4H3
InChIKeyPURIOSJALJXGNM-UHFFFAOYSA-N
XLogP4.76
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-methoxybutan-2-yl]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58703226
3-fluoro-1-(1-methoxypropan-2-yl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methylpyrrolo[3,2-b]pyridine
CID 11486728
[(2S)-2-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butyl] methanesulfonate
CID 58703077
3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine
CID 69228001
3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid
CID 22490071
5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene
CID 143580333
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyrazin-3-one
CID 59995647
ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol
CID 159011762
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804425
2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan
CID 168525707
2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol
CID 137340116

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine?
The IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine (CID 143015150) is 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine is COc1cc(OC(F)(F)F)ccc1-c1nc2c(C)cn(C)c2cc1C.
What is the InChIKey of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine?
The InChIKey is PURIOSJALJXGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-10-7-14-17(11(2)9-23(14)3)22-16(10)13-6-5-12(8-15(13)24-4)25-18(19,20)21/h5-9H,1-4H3.
What are the key properties of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine?
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine has a molecular weight of 350.34 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 143015150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).