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

C8H7FN2O — CID 123135175

IUPAC3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc2c(F)c[nH]c2n1
InChIInChI=1S/C8H7FN2O/c1-12-7-3-2-5-6(9)4-10-8(5)11-7/h2-4H,1H3,(H,10,11)
InChIKeyFBHBJLMHYVTIGS-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.71
Rot. Bonds1

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

3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 123135175) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is 3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID123135175
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc2c(F)c[nH]c2n1
InChIInChI=1S/C8H7FN2O/c1-12-7-3-2-5-6(9)4-10-8(5)11-7/h2-4H,1H3,(H,10,11)
InChIKeyFBHBJLMHYVTIGS-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 ≤ 500166.15
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 53412519
3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine
CID 170382364
2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 84663300
7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one
CID 156713395
ethane;7-methoxy-1H-1,8-naphthyridin-4-one
CID 155694720
3-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 123135182
2-fluoro-6-methoxy-3-methylpyridine
CID 90735299
5-fluoro-3-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione
CID 136952484
3-fluoro-7-methoxy-1H-pyrrolo[2,3-c]pyridine
CID 123135186
7-fluoro-2-methoxy-8-methylquinoline
CID 67547364
5-fluoro-2-methoxy-8-nitroquinoline
CID 86241718
1-(3-fluoro-6-methoxy-2-pyridinyl)ethanamine
CID 84653773

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine (CID 123135175) is 3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine is COc1ccc2c(F)c[nH]c2n1.
What is the InChIKey of 3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FBHBJLMHYVTIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c1-12-7-3-2-5-6(9)4-10-8(5)11-7/h2-4H,1H3,(H,10,11).
What are the key properties of 3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine?
3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 166.15 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-6-methoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 123135175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).