pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

C12H15N3O — CID 64866594

IUPACpyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOC(c1c[nH]c2ncccc12)C1CCCN1
InChIInChI=1S/C12H15N3O/c16-11(10-4-2-5-13-10)9-7-15-12-8(9)3-1-6-14-12/h1,3,6-7,10-11,13,16H,2,4-5H2,(H,14,15)
InChIKeySITHLPIHYBEPBV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.35
Rot. Bonds2

About pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (PubChem CID 64866594) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.

Molecular Properties

Compound Namepyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
PubChem CID64866594
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Namepyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOC(c1c[nH]c2ncccc12)C1CCCN1
InChIInChI=1S/C12H15N3O/c16-11(10-4-2-5-13-10)9-7-15-12-8(9)3-1-6-14-12/h1,3,6-7,10-11,13,16H,2,4-5H2,(H,14,15)
InChIKeySITHLPIHYBEPBV-UHFFFAOYSA-N
XLogP1.35
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The IUPAC name of pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (CID 64866594) is pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.
What is the SMILES notation for pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The canonical SMILES for pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is OC(c1c[nH]c2ncccc12)C1CCCN1.
What is the InChIKey of pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The InChIKey is SITHLPIHYBEPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-11(10-4-2-5-13-10)9-7-15-12-8(9)3-1-6-14-12/h1,3,6-7,10-11,13,16H,2,4-5H2,(H,14,15).
What are the key properties of pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol has a molecular weight of 217.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is sourced from PubChem (CID 64866594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).