1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine

C17H15F3N2O — CID 146619131

IUPAC1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine
SMILESCC(C)n1c(-c2ccc(OC(F)(F)F)cc2)cc2ccncc21
InChIInChI=1S/C17H15F3N2O/c1-11(2)22-15(9-13-7-8-21-10-16(13)22)12-3-5-14(6-4-12)23-17(18,19)20/h3-11H,1-2H3
InChIKeyWEMIBLQOINSPSF-UHFFFAOYSA-N
MW320.31 g/mol
LogP5.18
Rot. Bonds3

About 1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine

1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine (PubChem CID 146619131) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine
PubChem CID146619131
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine
SMILESCC(C)n1c(-c2ccc(OC(F)(F)F)cc2)cc2ccncc21
InChIInChI=1S/C17H15F3N2O/c1-11(2)22-15(9-13-7-8-21-10-16(13)22)12-3-5-14(6-4-12)23-17(18,19)20/h3-11H,1-2H3
InChIKeyWEMIBLQOINSPSF-UHFFFAOYSA-N
XLogP5.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.31
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]imidazole
CID 165482366
1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazole
CID 134354899
4-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one
CID 87054616
2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine
CID 146619016
2-(4-ethoxyphenyl)-1-hydroxypyrrolo[2,3-c]pyridine
CID 164589291
5-chloro-1-propan-2-yl-2-pyridin-4-ylindole
CID 146604810
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
2-[5-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]pyridine
CID 174688521
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
4-[3-bromo-4-(trifluoromethoxy)phenyl]pyridine;4-[4-(trifluoromethoxy)phenyl]pyridine
CID 158192598
6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
CID 162651424
2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 142362621

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine (CID 146619131) is 1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine is CC(C)n1c(-c2ccc(OC(F)(F)F)cc2)cc2ccncc21.
What is the InChIKey of 1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine?
The InChIKey is WEMIBLQOINSPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-11(2)22-15(9-13-7-8-21-10-16(13)22)12-3-5-14(6-4-12)23-17(18,19)20/h3-11H,1-2H3.
What are the key properties of 1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine?
1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine has a molecular weight of 320.31 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 146619131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).