4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid

C10H5Br2ClN2O2 — CID 66854245

IUPAC4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)c(Br)n1-c1ncccc1Cl
InChIInChI=1S/C10H5Br2ClN2O2/c11-5-4-7(10(16)17)15(8(5)12)9-6(13)2-1-3-14-9/h1-4H,(H,16,17)
InChIKeyNPOCJECLWXPMTC-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.75
Rot. Bonds2

About 4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid

4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid (PubChem CID 66854245) has the molecular formula C10H5Br2ClN2O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid
PubChem CID66854245
Molecular FormulaC10H5Br2ClN2O2
Molecular Weight380.42 g/mol
Exact Mass377.84
IUPAC Name4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)c(Br)n1-c1ncccc1Cl
InChIInChI=1S/C10H5Br2ClN2O2/c11-5-4-7(10(16)17)15(8(5)12)9-6(13)2-1-3-14-9/h1-4H,(H,16,17)
InChIKeyNPOCJECLWXPMTC-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
CID 11587535
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxylic acid
CID 3531599
4-bromo-1-(3-trifluoromethyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid
CID 66854098
Methyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate
CID 69084327
4-Bromo-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrole-2-carboxylic acid
CID 69084343
1-[3-Chloro-6-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
CID 69084510
1-[3-Chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
CID 69086442
3-Bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid
CID 118496627
3-Bromo-1-(3-chloro-4-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid
CID 141393061
3-Bromo-1-(3-chloro-5-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid
CID 141393063
Methyl 4-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylate
CID 141538455
1-(5-Fluoro-2-pyridinyl)pyrrole-2-carboxylic acid
CID 175768383

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid?
The IUPAC name of 4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid (CID 66854245) is 4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid is O=C(O)c1cc(Br)c(Br)n1-c1ncccc1Cl.
What is the InChIKey of 4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid?
The InChIKey is NPOCJECLWXPMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2ClN2O2/c11-5-4-7(10(16)17)15(8(5)12)9-6(13)2-1-3-14-9/h1-4H,(H,16,17).
What are the key properties of 4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid?
4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid has a molecular weight of 380.42 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 66854245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).