5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

C9H7FN2O2 — CID 156565858

IUPAC5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(CF)cc12
InChIInChI=1S/C9H7FN2O2/c10-2-5-1-6-7(9(13)14)4-12-8(6)11-3-5/h1,3-4H,2H2,(H,11,12)(H,13,14)
InChIKeyDXRMPYCBUUEDMD-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.73
Rot. Bonds2

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

5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 156565858) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID156565858
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(CF)cc12
InChIInChI=1S/C9H7FN2O2/c10-2-5-1-6-7(9(13)14)4-12-8(6)11-3-5/h1,3-4H,2H2,(H,11,12)(H,13,14)
InChIKeyDXRMPYCBUUEDMD-UHFFFAOYSA-N
XLogP1.73
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 156565858) is 5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is O=C(O)c1c[nH]c2ncc(CF)cc12.
What is the InChIKey of 5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is DXRMPYCBUUEDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-2-5-1-6-7(9(13)14)4-12-8(6)11-3-5/h1,3-4H,2H2,(H,11,12)(H,13,14).
What are the key properties of 5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 194.16 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 156565858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).