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

C14H9FN2O2 — CID 59625874

IUPAC1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ccc(F)cc2)n1
InChIInChI=1S/C14H9FN2O2/c15-9-1-3-10(4-2-9)17-8-7-11-13(17)6-5-12(16-11)14(18)19/h1-8H,(H,18,19)
InChIKeySGTXMSBSUDIGSU-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.86
Rot. Bonds2

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

1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid (PubChem CID 59625874) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid
PubChem CID59625874
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ccc(F)cc2)n1
InChIInChI=1S/C14H9FN2O2/c15-9-1-3-10(4-2-9)17-8-7-11-13(17)6-5-12(16-11)14(18)19/h1-8H,(H,18,19)
InChIKeySGTXMSBSUDIGSU-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid (CID 59625874) is 1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2c(ccn2-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid?
The InChIKey is SGTXMSBSUDIGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-9-1-3-10(4-2-9)17-8-7-11-13(17)6-5-12(16-11)14(18)19/h1-8H,(H,18,19).
What are the key properties of 1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid?
1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid has a molecular weight of 256.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 59625874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).