7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene

C18H17F3N2O3 — CID 145315190

IUPAC7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene
SMILESCOc1nccc2c(C(=O)O)cn(C)c12.Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10N2O3.C8H7F3/c1-12-5-7(10(13)14)6-3-4-11-9(15-2)8(6)12;1-6-2-4-7(5-3-6)8(9,10)11/h3-5H,1-2H3,(H,13,14);2-5H,1H3
InChIKeyRCWRLCHYVAJECZ-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.29
Rot. Bonds2

About 7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene

7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene (PubChem CID 145315190) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene
PubChem CID145315190
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene
SMILESCOc1nccc2c(C(=O)O)cn(C)c12.Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10N2O3.C8H7F3/c1-12-5-7(10(13)14)6-3-4-11-9(15-2)8(6)12;1-6-2-4-7(5-3-6)8(9,10)11/h3-5H,1-2H3,(H,13,14);2-5H,1H3
InChIKeyRCWRLCHYVAJECZ-UHFFFAOYSA-N
XLogP4.29
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of 7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene (CID 145315190) is 7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene is COc1nccc2c(C(=O)O)cn(C)c12.Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene?
The InChIKey is RCWRLCHYVAJECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3.C8H7F3/c1-12-5-7(10(13)14)6-3-4-11-9(15-2)8(6)12;1-6-2-4-7(5-3-6)8(9,10)11/h3-5H,1-2H3,(H,13,14);2-5H,1H3.
What are the key properties of 7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene?
7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene has a molecular weight of 366.34 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 145315190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).