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

C9H7FN2O2 — CID 135396956

IUPACmethyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(F)cnc12
InChIInChI=1S/C9H7FN2O2/c1-14-9(13)6-4-11-7-2-5(10)3-12-8(6)7/h2-4,11H,1H3
InChIKeyXSXFRMQLCFVNHA-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.49
Rot. Bonds1

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

methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate (PubChem CID 135396956) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
PubChem CID135396956
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Namemethyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(F)cnc12
InChIInChI=1S/C9H7FN2O2/c1-14-9(13)6-4-11-7-2-5(10)3-12-8(6)7/h2-4,11H,1H3
InChIKeyXSXFRMQLCFVNHA-UHFFFAOYSA-N
XLogP1.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The IUPAC name of methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate (CID 135396956) is methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate is COC(=O)c1c[nH]c2cc(F)cnc12.
What is the InChIKey of methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The InChIKey is XSXFRMQLCFVNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-14-9(13)6-4-11-7-2-5(10)3-12-8(6)7/h2-4,11H,1H3.
What are the key properties of methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate?
methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate has a molecular weight of 194.16 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 135396956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).