1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid

C10H6BrFN2O2 — CID 141184595

IUPAC1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2F)n(Br)c1
InChIInChI=1S/C10H6BrFN2O2/c11-14-5-6(10(15)16)3-9(14)7-1-2-13-4-8(7)12/h1-5H,(H,15,16)
InChIKeyUIGHKAVFZQWPAR-UHFFFAOYSA-N
MW285.07 g/mol
LogP2.55
Rot. Bonds2

About 1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid

1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid (PubChem CID 141184595) has the molecular formula C10H6BrFN2O2 and a molecular weight of 285.07 g/mol. Its IUPAC name is 1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid
PubChem CID141184595
Molecular FormulaC10H6BrFN2O2
Molecular Weight285.07 g/mol
Exact Mass283.96
IUPAC Name1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2F)n(Br)c1
InChIInChI=1S/C10H6BrFN2O2/c11-14-5-6(10(15)16)3-9(14)7-1-2-13-4-8(7)12/h1-5H,(H,15,16)
InChIKeyUIGHKAVFZQWPAR-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid?
The IUPAC name of 1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid (CID 141184595) is 1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid is O=C(O)c1cc(-c2ccncc2F)n(Br)c1.
What is the InChIKey of 1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid?
The InChIKey is UIGHKAVFZQWPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O2/c11-14-5-6(10(15)16)3-9(14)7-1-2-13-4-8(7)12/h1-5H,(H,15,16).
What are the key properties of 1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid?
1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid has a molecular weight of 285.07 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(3-fluoro-4-pyridinyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 141184595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).