(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol

C11H13FN2O — CID 90720865

IUPAC(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol
SMILESCC(C)n1c(CO)cc2cc(F)cnc21
InChIInChI=1S/C11H13FN2O/c1-7(2)14-10(6-15)4-8-3-9(12)5-13-11(8)14/h3-5,7,15H,6H2,1-2H3
InChIKeyADOGKTRIQBQSQV-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.25
Rot. Bonds2

About (5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol

(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol (PubChem CID 90720865) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is (5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol
PubChem CID90720865
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol
SMILESCC(C)n1c(CO)cc2cc(F)cnc21
InChIInChI=1S/C11H13FN2O/c1-7(2)14-10(6-15)4-8-3-9(12)5-13-11(8)14/h3-5,7,15H,6H2,1-2H3
InChIKeyADOGKTRIQBQSQV-UHFFFAOYSA-N
XLogP2.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol?
The IUPAC name of (5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol (CID 90720865) is (5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol.
What is the SMILES notation for (5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol?
The canonical SMILES for (5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol is CC(C)n1c(CO)cc2cc(F)cnc21.
What is the InChIKey of (5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol?
The InChIKey is ADOGKTRIQBQSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7(2)14-10(6-15)4-8-3-9(12)5-13-11(8)14/h3-5,7,15H,6H2,1-2H3.
What are the key properties of (5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol?
(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol has a molecular weight of 208.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)methanol is sourced from PubChem (CID 90720865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).