3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid

C14H11N3O3 — CID 56904646

IUPAC3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid
SMILESNc1cc(-c2cc(O)cc(C(=O)O)c2)c2cc[nH]c2n1
InChIInChI=1S/C14H11N3O3/c15-12-6-11(10-1-2-16-13(10)17-12)7-3-8(14(19)20)5-9(18)4-7/h1-6,18H,(H,19,20)(H3,15,16,17)
InChIKeyWMBOVGVASOZMDE-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.22
Rot. Bonds2

About 3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid

3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid (PubChem CID 56904646) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid
PubChem CID56904646
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid
SMILESNc1cc(-c2cc(O)cc(C(=O)O)c2)c2cc[nH]c2n1
InChIInChI=1S/C14H11N3O3/c15-12-6-11(10-1-2-16-13(10)17-12)7-3-8(14(19)20)5-9(18)4-7/h1-6,18H,(H,19,20)(H3,15,16,17)
InChIKeyWMBOVGVASOZMDE-UHFFFAOYSA-N
XLogP2.22
TPSA112.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid?
The IUPAC name of 3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid (CID 56904646) is 3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid.
What is the SMILES notation for 3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid?
The canonical SMILES for 3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid is Nc1cc(-c2cc(O)cc(C(=O)O)c2)c2cc[nH]c2n1.
What is the InChIKey of 3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid?
The InChIKey is WMBOVGVASOZMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c15-12-6-11(10-1-2-16-13(10)17-12)7-3-8(14(19)20)5-9(18)4-7/h1-6,18H,(H,19,20)(H3,15,16,17).
What are the key properties of 3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid?
3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid has a molecular weight of 269.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid is sourced from PubChem (CID 56904646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).