(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol

C13H11N3O2 — CID 167286870

IUPAC(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol
SMILESOC(O)c1cc2ccc(-c3cccnc3)nc2[nH]1
InChIInChI=1S/C13H11N3O2/c17-13(18)11-6-8-3-4-10(15-12(8)16-11)9-2-1-5-14-7-9/h1-7,13,17-18H,(H,15,16)
InChIKeyQSWNMOWWKJYCBU-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.61
Rot. Bonds2

About (6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol

(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol (PubChem CID 167286870) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is (6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol.

Molecular Properties

Compound Name(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol
PubChem CID167286870
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol
SMILESOC(O)c1cc2ccc(-c3cccnc3)nc2[nH]1
InChIInChI=1S/C13H11N3O2/c17-13(18)11-6-8-3-4-10(15-12(8)16-11)9-2-1-5-14-7-9/h1-7,13,17-18H,(H,15,16)
InChIKeyQSWNMOWWKJYCBU-UHFFFAOYSA-N
XLogP1.61
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol?
The IUPAC name of (6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol (CID 167286870) is (6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol.
What is the SMILES notation for (6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol?
The canonical SMILES for (6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol is OC(O)c1cc2ccc(-c3cccnc3)nc2[nH]1.
What is the InChIKey of (6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol?
The InChIKey is QSWNMOWWKJYCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-13(18)11-6-8-3-4-10(15-12(8)16-11)9-2-1-5-14-7-9/h1-7,13,17-18H,(H,15,16).
What are the key properties of (6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol?
(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol has a molecular weight of 241.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol is sourced from PubChem (CID 167286870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).