1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid

C14H9BrN2O4 — CID 123621243

IUPAC1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1c(O)c2c(ccn2-c2ccc(Br)cc2)[nH]c1=O
InChIInChI=1S/C14H9BrN2O4/c15-7-1-3-8(4-2-7)17-6-5-9-11(17)12(18)10(14(20)21)13(19)16-9/h1-6H,(H,20,21)(H2,16,18,19)
InChIKeyMBJWHYAJTYIWOA-UHFFFAOYSA-N
MW349.14 g/mol
LogP2.49
Rot. Bonds2

About 1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid

1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid (PubChem CID 123621243) has the molecular formula C14H9BrN2O4 and a molecular weight of 349.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
PubChem CID123621243
Molecular FormulaC14H9BrN2O4
Molecular Weight349.14 g/mol
Exact Mass347.97
IUPAC Name1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1c(O)c2c(ccn2-c2ccc(Br)cc2)[nH]c1=O
InChIInChI=1S/C14H9BrN2O4/c15-7-1-3-8(4-2-7)17-6-5-9-11(17)12(18)10(14(20)21)13(19)16-9/h1-6H,(H,20,21)(H2,16,18,19)
InChIKeyMBJWHYAJTYIWOA-UHFFFAOYSA-N
XLogP2.49
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid (CID 123621243) is 1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid is O=C(O)c1c(O)c2c(ccn2-c2ccc(Br)cc2)[nH]c1=O.
What is the InChIKey of 1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is MBJWHYAJTYIWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O4/c15-7-1-3-8(4-2-7)17-6-5-9-11(17)12(18)10(14(20)21)13(19)16-9/h1-6H,(H,20,21)(H2,16,18,19).
What are the key properties of 1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 349.14 g/mol, XLogP of 2.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 123621243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).