5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C15H10F2N2O2 — CID 22320654

IUPAC5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cc3ccc(F)c(F)c3)cnc2[nH]1
InChIInChI=1S/C15H10F2N2O2/c16-11-2-1-8(5-12(11)17)3-9-4-10-6-13(15(20)21)19-14(10)18-7-9/h1-2,4-7H,3H2,(H,18,19)(H,20,21)
InChIKeyFYJBCXFMEZMISG-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.13
Rot. Bonds3

About 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 22320654) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID22320654
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cc3ccc(F)c(F)c3)cnc2[nH]1
InChIInChI=1S/C15H10F2N2O2/c16-11-2-1-8(5-12(11)17)3-9-4-10-6-13(15(20)21)19-14(10)18-7-9/h1-2,4-7H,3H2,(H,18,19)(H,20,21)
InChIKeyFYJBCXFMEZMISG-UHFFFAOYSA-N
XLogP3.13
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 22320654) is 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2cc(Cc3ccc(F)c(F)c3)cnc2[nH]1.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is FYJBCXFMEZMISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-11-2-1-8(5-12(11)17)3-9-4-10-6-13(15(20)21)19-14(10)18-7-9/h1-2,4-7H,3H2,(H,18,19)(H,20,21).
What are the key properties of 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 288.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22320654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).