2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid

C15H8Br3FN2O3 — CID 87603740

IUPAC2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)c1nc(Br)c2c(c1O)c(Br)c(Br)n2Cc1ccccc1F
InChIInChI=1S/C15H8Br3FN2O3/c16-9-8-11(13(17)20-10(12(8)22)15(23)24)21(14(9)18)5-6-3-1-2-4-7(6)19/h1-4,22H,5H2,(H,23,24)
InChIKeyUFVCAGXUMUIGHX-UHFFFAOYSA-N
MW522.95 g/mol
LogP4.91
Rot. Bonds3

About 2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid

2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid (PubChem CID 87603740) has the molecular formula C15H8Br3FN2O3 and a molecular weight of 522.95 g/mol. Its IUPAC name is 2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid
PubChem CID87603740
Molecular FormulaC15H8Br3FN2O3
Molecular Weight522.95 g/mol
Exact Mass519.81
IUPAC Name2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)c1nc(Br)c2c(c1O)c(Br)c(Br)n2Cc1ccccc1F
InChIInChI=1S/C15H8Br3FN2O3/c16-9-8-11(13(17)20-10(12(8)22)15(23)24)21(14(9)18)5-6-3-1-2-4-7(6)19/h1-4,22H,5H2,(H,23,24)
InChIKeyUFVCAGXUMUIGHX-UHFFFAOYSA-N
XLogP4.91
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.95
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile
CID 141190995
5-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]triazole-4-carboxylic acid
CID 56769146
1-[(2-fluorophenyl)methyl]-5-thiophen-2-yltriazole-4-carboxylic acid
CID 82202313
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009330
(Z)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 166606602
1-[(4-bromo-2-fluorophenyl)methyl]-5-phenyltriazole-4-carboxylic acid
CID 56768972
1-[(2-fluorophenyl)methyl]-5-propyltriazole-4-carboxylic acid
CID 56828774
3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 165435259
2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 18681002
1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502747
1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262927

Frequently Asked Questions

What is the IUPAC name of 2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid (CID 87603740) is 2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid is O=C(O)c1nc(Br)c2c(c1O)c(Br)c(Br)n2Cc1ccccc1F.
What is the InChIKey of 2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid?
The InChIKey is UFVCAGXUMUIGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br3FN2O3/c16-9-8-11(13(17)20-10(12(8)22)15(23)24)21(14(9)18)5-6-3-1-2-4-7(6)19/h1-4,22H,5H2,(H,23,24).
What are the key properties of 2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid?
2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid has a molecular weight of 522.95 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 87603740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).