1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol

C11H14N2O3 — CID 171872464

IUPAC1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H14N2O3/c14-5-3-9(15)10(16)8-6-13-11-7(8)2-1-4-12-11/h1-2,4,6,9-10,14-16H,3,5H2,(H,12,13)
InChIKeyYFKUXSHUMSENTA-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.34
Rot. Bonds4

About 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol

1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol (PubChem CID 171872464) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol
PubChem CID171872464
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H14N2O3/c14-5-3-9(15)10(16)8-6-13-11-7(8)2-1-4-12-11/h1-2,4,6,9-10,14-16H,3,5H2,(H,12,13)
InChIKeyYFKUXSHUMSENTA-UHFFFAOYSA-N
XLogP0.34
TPSA89.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 171866265
tert-butyl N-[2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propyl]carbamate
CID 170832279
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate
CID 171886797
1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 55271278
1-pyrimidin-2-ylbutane-1,2,4-triol
CID 171871708
(2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol
CID 103789032
(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 131140420
1-(2-nitro-3-pyridinyl)butane-1,2,4-triol
CID 171872287
pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 64866594
3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 170418991
N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
CID 115704290
N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 16725756

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol?
The IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol (CID 171872464) is 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol.
What is the SMILES notation for 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol?
The canonical SMILES for 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol is OCCC(O)C(O)c1c[nH]c2ncccc12.
What is the InChIKey of 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol?
The InChIKey is YFKUXSHUMSENTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-5-3-9(15)10(16)8-6-13-11-7(8)2-1-4-12-11/h1-2,4,6,9-10,14-16H,3,5H2,(H,12,13).
What are the key properties of 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol?
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol has a molecular weight of 222.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol is sourced from PubChem (CID 171872464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).