1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid

C15H11FN2O2 — CID 44549264

IUPAC1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc2ccn(Cc3ccccc3F)c2cn1
InChIInChI=1S/C15H11FN2O2/c16-12-4-2-1-3-11(12)9-18-6-5-10-7-13(15(19)20)17-8-14(10)18/h1-8H,9H2,(H,19,20)
InChIKeyWGSDPMWBKJLLJX-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.92
Rot. Bonds3

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

1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid (PubChem CID 44549264) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid
PubChem CID44549264
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc2ccn(Cc3ccccc3F)c2cn1
InChIInChI=1S/C15H11FN2O2/c16-12-4-2-1-3-11(12)9-18-6-5-10-7-13(15(19)20)17-8-14(10)18/h1-8H,9H2,(H,19,20)
InChIKeyWGSDPMWBKJLLJX-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid (CID 44549264) is 1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid is O=C(O)c1cc2ccn(Cc3ccccc3F)c2cn1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The InChIKey is WGSDPMWBKJLLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-12-4-2-1-3-11(12)9-18-6-5-10-7-13(15(19)20)17-8-14(10)18/h1-8H,9H2,(H,19,20).
What are the key properties of 1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid?
1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 44549264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).