3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one

C11H13FN2O — CID 161267719

IUPAC3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)n1cc(F)c2c(=O)n(C)ccc21
InChIInChI=1S/C11H13FN2O/c1-7(2)14-6-8(12)10-9(14)4-5-13(3)11(10)15/h4-7H,1-3H3
InChIKeyYFWLNLMPHYJFQS-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.06
Rot. Bonds1

About 3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one

3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one (PubChem CID 161267719) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one
PubChem CID161267719
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)n1cc(F)c2c(=O)n(C)ccc21
InChIInChI=1S/C11H13FN2O/c1-7(2)14-6-8(12)10-9(14)4-5-13(3)11(10)15/h4-7H,1-3H3
InChIKeyYFWLNLMPHYJFQS-UHFFFAOYSA-N
XLogP2.06
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one (CID 161267719) is 3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one is CC(C)n1cc(F)c2c(=O)n(C)ccc21.
What is the InChIKey of 3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one?
The InChIKey is YFWLNLMPHYJFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7(2)14-6-8(12)10-9(14)4-5-13(3)11(10)15/h4-7H,1-3H3.
What are the key properties of 3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one?
3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one has a molecular weight of 208.24 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 161267719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).