1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid

C10H7F3N2O2 — CID 126506650

IUPAC1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C10H7F3N2O2/c1-15-7(9(16)17)3-5-2-6(10(11,12)13)4-14-8(5)15/h2-4H,1H3,(H,16,17)
InChIKeyHDCXYNVCHIKBTQ-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.29
Rot. Bonds1

About 1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid

1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 126506650) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID126506650
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C10H7F3N2O2/c1-15-7(9(16)17)3-5-2-6(10(11,12)13)4-14-8(5)15/h2-4H,1H3,(H,16,17)
InChIKeyHDCXYNVCHIKBTQ-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 126506650) is 1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid is Cn1c(C(=O)O)cc2cc(C(F)(F)F)cnc21.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is HDCXYNVCHIKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-15-7(9(16)17)3-5-2-6(10(11,12)13)4-14-8(5)15/h2-4H,1H3,(H,16,17).
What are the key properties of 1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid?
1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 244.17 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 126506650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).