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

C10H13N3O2 — CID 170828191

IUPAC3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1cnc2cc[nH]c2c1
InChIInChI=1S/C10H13N3O2/c11-4-9(14)10(15)6-3-8-7(13-5-6)1-2-12-8/h1-3,5,9-10,12,14-15H,4,11H2
InChIKeyRHHKPVMBSDTSTR-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.08
Rot. Bonds3

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

3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol (PubChem CID 170828191) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
PubChem CID170828191
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1cnc2cc[nH]c2c1
InChIInChI=1S/C10H13N3O2/c11-4-9(14)10(15)6-3-8-7(13-5-6)1-2-12-8/h1-3,5,9-10,12,14-15H,4,11H2
InChIKeyRHHKPVMBSDTSTR-UHFFFAOYSA-N
XLogP-0.08
TPSA95.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol
CID 171881415
3,4-dihydroxy-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)butanoic acid
CID 171877833
(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine
CID 97056959
3-azido-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170826180
3-amino-1-(1H-indol-6-yl)propane-1,2-diol
CID 170828204
3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine
CID 84771242
(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
3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
CID 170827531
2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol
CID 89389519
3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol
CID 170828207
2-methyl-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-amine
CID 84771256

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol (CID 170828191) is 3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol is NCC(O)C(O)c1cnc2cc[nH]c2c1.
What is the InChIKey of 3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol?
The InChIKey is RHHKPVMBSDTSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-4-9(14)10(15)6-3-8-7(13-5-6)1-2-12-8/h1-3,5,9-10,12,14-15H,4,11H2.
What are the key properties of 3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol?
3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol has a molecular weight of 207.23 g/mol, XLogP of -0.08, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol is sourced from PubChem (CID 170828191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).