[3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol

C12H15FN2O — CID 90133557

IUPAC[3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol
SMILESCC(C)Cn1cc(F)c2c(CO)ccnc21
InChIInChI=1S/C12H15FN2O/c1-8(2)5-15-6-10(13)11-9(7-16)3-4-14-12(11)15/h3-4,6,8,16H,5,7H2,1-2H3
InChIKeyYPSMGRHFGCXFGA-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.32
Rot. Bonds3

About [3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol

[3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol (PubChem CID 90133557) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is [3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol.

Molecular Properties

Compound Name[3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol
PubChem CID90133557
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name[3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol
SMILESCC(C)Cn1cc(F)c2c(CO)ccnc21
InChIInChI=1S/C12H15FN2O/c1-8(2)5-15-6-10(13)11-9(7-16)3-4-14-12(11)15/h3-4,6,8,16H,5,7H2,1-2H3
InChIKeyYPSMGRHFGCXFGA-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol?
The IUPAC name of [3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol (CID 90133557) is [3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol.
What is the SMILES notation for [3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol?
The canonical SMILES for [3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol is CC(C)Cn1cc(F)c2c(CO)ccnc21.
What is the InChIKey of [3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol?
The InChIKey is YPSMGRHFGCXFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8(2)5-15-6-10(13)11-9(7-16)3-4-14-12(11)15/h3-4,6,8,16H,5,7H2,1-2H3.
What are the key properties of [3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol?
[3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol has a molecular weight of 222.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]methanol is sourced from PubChem (CID 90133557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).