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

C15H10F2N2O2 — CID 66907943

IUPAC5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(F)cnc2n1Cc1cccc(F)c1
InChIInChI=1S/C15H10F2N2O2/c16-11-3-1-2-9(4-11)8-19-13(15(20)21)6-10-5-12(17)7-18-14(10)19/h1-7H,8H2,(H,20,21)
InChIKeyVEUOFHQESSXEQC-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.06
Rot. Bonds3

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

5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 66907943) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID66907943
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(F)cnc2n1Cc1cccc(F)c1
InChIInChI=1S/C15H10F2N2O2/c16-11-3-1-2-9(4-11)8-19-13(15(20)21)6-10-5-12(17)7-18-14(10)19/h1-7H,8H2,(H,20,21)
InChIKeyVEUOFHQESSXEQC-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 66907943) is 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2cc(F)cnc2n1Cc1cccc(F)c1.
What is the InChIKey of 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is VEUOFHQESSXEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-11-3-1-2-9(4-11)8-19-13(15(20)21)6-10-5-12(17)7-18-14(10)19/h1-7H,8H2,(H,20,21).
What are the key properties of 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid?
5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 288.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 66907943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).