4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol

C11H15N3O2 — CID 171881415

IUPAC4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol
SMILESNCCC(O)C(O)c1cnc2cc[nH]c2c1
InChIInChI=1S/C11H15N3O2/c12-3-1-10(15)11(16)7-5-9-8(14-6-7)2-4-13-9/h2,4-6,10-11,13,15-16H,1,3,12H2
InChIKeyCSAJAGLBVNHVGL-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.31
Rot. Bonds4

About 4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol

4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol (PubChem CID 171881415) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol
PubChem CID171881415
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol
SMILESNCCC(O)C(O)c1cnc2cc[nH]c2c1
InChIInChI=1S/C11H15N3O2/c12-3-1-10(15)11(16)7-5-9-8(14-6-7)2-4-13-9/h2,4-6,10-11,13,15-16H,1,3,12H2
InChIKeyCSAJAGLBVNHVGL-UHFFFAOYSA-N
XLogP0.31
TPSA95.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170828191
3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine
CID 84771242
3,4-dihydroxy-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)butanoic acid
CID 171877833
3-azido-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170826180
(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine
CID 97056959
4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722
(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one
CID 97056961
2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol
CID 76847430
4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol
CID 171881066
4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol
CID 171880918
4-amino-1-(1H-indazol-6-yl)butane-1,2-diol
CID 171881419
4-amino-1-(6-nitro-3-pyridinyl)butane-1,2-diol
CID 171881245

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol (CID 171881415) is 4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol is NCCC(O)C(O)c1cnc2cc[nH]c2c1.
What is the InChIKey of 4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol?
The InChIKey is CSAJAGLBVNHVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-3-1-10(15)11(16)7-5-9-8(14-6-7)2-4-13-9/h2,4-6,10-11,13,15-16H,1,3,12H2.
What are the key properties of 4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol?
4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol has a molecular weight of 221.26 g/mol, XLogP of 0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol is sourced from PubChem (CID 171881415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).