1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol

C11H14N2O — CID 175727434

IUPAC1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol
SMILESCCC(O)Cc1cc2cccnc2[nH]1
InChIInChI=1S/C11H14N2O/c1-2-10(14)7-9-6-8-4-3-5-12-11(8)13-9/h3-6,10,14H,2,7H2,1H3,(H,12,13)
InChIKeyGZNNFBVHSRHSCK-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.88
Rot. Bonds3

About 1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol

1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol (PubChem CID 175727434) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol
PubChem CID175727434
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol
SMILESCCC(O)Cc1cc2cccnc2[nH]1
InChIInChI=1S/C11H14N2O/c1-2-10(14)7-9-6-8-4-3-5-12-11(8)13-9/h3-6,10,14H,2,7H2,1H3,(H,12,13)
InChIKeyGZNNFBVHSRHSCK-UHFFFAOYSA-N
XLogP1.88
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol?
The IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol (CID 175727434) is 1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol.
What is the SMILES notation for 1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol?
The canonical SMILES for 1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol is CCC(O)Cc1cc2cccnc2[nH]1.
What is the InChIKey of 1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol?
The InChIKey is GZNNFBVHSRHSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-10(14)7-9-6-8-4-3-5-12-11(8)13-9/h3-6,10,14H,2,7H2,1H3,(H,12,13).
What are the key properties of 1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol?
1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol has a molecular weight of 190.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-2-ol is sourced from PubChem (CID 175727434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).