methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

C10H9FN2O2 — CID 58365050

IUPACmethyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2ncc(F)cc12
InChIInChI=1S/C10H9FN2O2/c1-5-8(10(14)15-2)7-3-6(11)4-12-9(7)13-5/h3-4H,1-2H3,(H,12,13)
InChIKeyKSHNFNFMWCLSJO-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.80
Rot. Bonds1

About methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate (PubChem CID 58365050) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
PubChem CID58365050
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Namemethyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2ncc(F)cc12
InChIInChI=1S/C10H9FN2O2/c1-5-8(10(14)15-2)7-3-6(11)4-12-9(7)13-5/h3-4H,1-2H3,(H,12,13)
InChIKeyKSHNFNFMWCLSJO-UHFFFAOYSA-N
XLogP1.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate (CID 58365050) is methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate is COC(=O)c1c(C)[nH]c2ncc(F)cc12.
What is the InChIKey of methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The InChIKey is KSHNFNFMWCLSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-5-8(10(14)15-2)7-3-6(11)4-12-9(7)13-5/h3-4H,1-2H3,(H,12,13).
What are the key properties of methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate has a molecular weight of 208.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 58365050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).