3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine

C8H7FN2O — CID 123135186

IUPAC3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1nccc2c(F)c[nH]c12
InChIInChI=1S/C8H7FN2O/c1-12-8-7-5(2-3-10-8)6(9)4-11-7/h2-4,11H,1H3
InChIKeyHSYKDJXJVOIZOF-UHFFFAOYSA-N
MW166.16 g/mol
LogP1.71
Rot. Bonds1

About 3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine

3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine (PubChem CID 123135186) has the molecular formula C8H7FN2O and a molecular weight of 166.16 g/mol. Its IUPAC name is 3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine
PubChem CID123135186
Molecular FormulaC8H7FN2O
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1nccc2c(F)c[nH]c12
InChIInChI=1S/C8H7FN2O/c1-12-8-7-5(2-3-10-8)6(9)4-11-7/h2-4,11H,1H3
InChIKeyHSYKDJXJVOIZOF-UHFFFAOYSA-N
XLogP1.71
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine (CID 123135186) is 3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine is COc1nccc2c(F)c[nH]c12.
What is the InChIKey of 3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is HSYKDJXJVOIZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c1-12-8-7-5(2-3-10-8)6(9)4-11-7/h2-4,11H,1H3.
What are the key properties of 3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine?
3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 166.16 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 123135186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).