ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine

C12H15F3N2O — CID 170736977

IUPACethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
SMILESCC.COc1ncc(C(F)(F)F)c2c(C)c[nH]c12
InChIInChI=1S/C10H9F3N2O.C2H6/c1-5-3-14-8-7(5)6(10(11,12)13)4-15-9(8)16-2;1-2/h3-4,14H,1-2H3;1-2H3
InChIKeyFTGJGQMSSJUHFF-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.92
Rot. Bonds1

About ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine

ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 170736977) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Nameethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
PubChem CID170736977
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Nameethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
SMILESCC.COc1ncc(C(F)(F)F)c2c(C)c[nH]c12
InChIInChI=1S/C10H9F3N2O.C2H6/c1-5-3-14-8-7(5)6(10(11,12)13)4-15-9(8)16-2;1-2/h3-4,14H,1-2H3;1-2H3
InChIKeyFTGJGQMSSJUHFF-UHFFFAOYSA-N
XLogP3.92
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile
CID 172608476
[7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite
CID 172580964
4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 146567972
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134665360
2-methoxy-5-propyl-3-(trifluoromethyl)pyridine
CID 168920568
3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine
CID 123135186
2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane
CID 155571653
[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 11715423
3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine
CID 169249031
4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine
CID 168893738
3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134666970

Frequently Asked Questions

What is the IUPAC name of ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine (CID 170736977) is ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine is CC.COc1ncc(C(F)(F)F)c2c(C)c[nH]c12.
What is the InChIKey of ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is FTGJGQMSSJUHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O.C2H6/c1-5-3-14-8-7(5)6(10(11,12)13)4-15-9(8)16-2;1-2/h3-4,14H,1-2H3;1-2H3.
What are the key properties of ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine?
ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 260.26 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 170736977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).