4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid

C11H5BrClF3N2O2 — CID 69084343

IUPAC4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H5BrClF3N2O2/c12-6-2-8(10(19)20)18(4-6)9-7(13)1-5(3-17-9)11(14,15)16/h1-4H,(H,19,20)
InChIKeyYKAQYBVHRITZNT-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.01
Rot. Bonds2

About 4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid

4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid (PubChem CID 69084343) has the molecular formula C11H5BrClF3N2O2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
PubChem CID69084343
Molecular FormulaC11H5BrClF3N2O2
Molecular Weight369.52 g/mol
Exact Mass367.92
IUPAC Name4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H5BrClF3N2O2/c12-6-2-8(10(19)20)18(4-6)9-7(13)1-5(3-17-9)11(14,15)16/h1-4H,(H,19,20)
InChIKeyYKAQYBVHRITZNT-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
The IUPAC name of 4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid (CID 69084343) is 4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid is O=C(O)c1cc(Br)cn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
The InChIKey is YKAQYBVHRITZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClF3N2O2/c12-6-2-8(10(19)20)18(4-6)9-7(13)1-5(3-17-9)11(14,15)16/h1-4H,(H,19,20).
What are the key properties of 4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid has a molecular weight of 369.52 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 69084343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).