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

C15H11FN2O2 — CID 44608256

IUPAC1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cccnc2n1Cc1cccc(F)c1
InChIInChI=1S/C15H11FN2O2/c16-12-5-1-3-10(7-12)9-18-13(15(19)20)8-11-4-2-6-17-14(11)18/h1-8H,9H2,(H,19,20)
InChIKeyGKALCFDPSCRMRU-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.92
Rot. Bonds3

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

1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 44608256) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID44608256
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cccnc2n1Cc1cccc(F)c1
InChIInChI=1S/C15H11FN2O2/c16-12-5-1-3-10(7-12)9-18-13(15(19)20)8-11-4-2-6-17-14(11)18/h1-8H,9H2,(H,19,20)
InChIKeyGKALCFDPSCRMRU-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-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 44608256) is 1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2cccnc2n1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is GKALCFDPSCRMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-12-5-1-3-10(7-12)9-18-13(15(19)20)8-11-4-2-6-17-14(11)18/h1-8H,9H2,(H,19,20).
What are the key properties of 1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid?
1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-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-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 44608256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).