6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

C8H5FN2O2 — CID 84718325

IUPAC6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(F)cc2[nH]1
InChIInChI=1S/C8H5FN2O2/c9-4-1-6-5(10-3-4)2-7(11-6)8(12)13/h1-3,11H,(H,12,13)
InChIKeyKGAQNDKPTXXZKI-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.40
Rot. Bonds1

About 6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 84718325) has the molecular formula C8H5FN2O2 and a molecular weight of 180.14 g/mol. Its IUPAC name is 6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID84718325
Molecular FormulaC8H5FN2O2
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(F)cc2[nH]1
InChIInChI=1S/C8H5FN2O2/c9-4-1-6-5(10-3-4)2-7(11-6)8(12)13/h1-3,11H,(H,12,13)
InChIKeyKGAQNDKPTXXZKI-UHFFFAOYSA-N
XLogP1.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 84718325) is 6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1cc2ncc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is KGAQNDKPTXXZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2/c9-4-1-6-5(10-3-4)2-7(11-6)8(12)13/h1-3,11H,(H,12,13).
What are the key properties of 6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 180.14 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 84718325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).