4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one

C9H11N3O2 — CID 73014004

IUPAC4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESCc1[nH]c2[nH]c(=O)c(O)c(N)c2c1C
InChIInChI=1S/C9H11N3O2/c1-3-4(2)11-8-5(3)6(10)7(13)9(14)12-8/h13H,1-2H3,(H4,10,11,12,14)
InChIKeyNCEIBAYTHAZAGA-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.76
Rot. Bonds

About 4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one

4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one (PubChem CID 73014004) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
PubChem CID73014004
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESCc1[nH]c2[nH]c(=O)c(O)c(N)c2c1C
InChIInChI=1S/C9H11N3O2/c1-3-4(2)11-8-5(3)6(10)7(13)9(14)12-8/h13H,1-2H3,(H4,10,11,12,14)
InChIKeyNCEIBAYTHAZAGA-UHFFFAOYSA-N
XLogP0.76
TPSA94.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The IUPAC name of 4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one (CID 73014004) is 4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The canonical SMILES for 4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one is Cc1[nH]c2[nH]c(=O)c(O)c(N)c2c1C.
What is the InChIKey of 4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The InChIKey is NCEIBAYTHAZAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-3-4(2)11-8-5(3)6(10)7(13)9(14)12-8/h13H,1-2H3,(H4,10,11,12,14).
What are the key properties of 4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one has a molecular weight of 193.21 g/mol, XLogP of 0.76, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one is sourced from PubChem (CID 73014004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).