5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid

C10H6BrClN2O2 — CID 66854448

IUPAC5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(Br)n1-c1ncccc1Cl
InChIInChI=1S/C10H6BrClN2O2/c11-8-4-3-7(10(15)16)14(8)9-6(12)2-1-5-13-9/h1-5H,(H,15,16)
InChIKeyMUSGSQUOPFSFCG-UHFFFAOYSA-N
MW301.53 g/mol
LogP2.99
Rot. Bonds2

About 5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid

5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid (PubChem CID 66854448) has the molecular formula C10H6BrClN2O2 and a molecular weight of 301.53 g/mol. Its IUPAC name is 5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid
PubChem CID66854448
Molecular FormulaC10H6BrClN2O2
Molecular Weight301.53 g/mol
Exact Mass299.93
IUPAC Name5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(Br)n1-c1ncccc1Cl
InChIInChI=1S/C10H6BrClN2O2/c11-8-4-3-7(10(15)16)14(8)9-6(12)2-1-5-13-9/h1-5H,(H,15,16)
InChIKeyMUSGSQUOPFSFCG-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid?
The IUPAC name of 5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid (CID 66854448) is 5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid is O=C(O)c1ccc(Br)n1-c1ncccc1Cl.
What is the InChIKey of 5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid?
The InChIKey is MUSGSQUOPFSFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O2/c11-8-4-3-7(10(15)16)14(8)9-6(12)2-1-5-13-9/h1-5H,(H,15,16).
What are the key properties of 5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid?
5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid has a molecular weight of 301.53 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 66854448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).