5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine

C12H9ClN4 — CID 56707493

IUPAC5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine
SMILESClc1ccc(-n2cccc2-c2ncc[nH]2)nc1
InChIInChI=1S/C12H9ClN4/c13-9-3-4-11(16-8-9)17-7-1-2-10(17)12-14-5-6-15-12/h1-8H,(H,14,15)
InChIKeyUOATUEMJDFLHPJ-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.92
Rot. Bonds2

About 5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine

5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine (PubChem CID 56707493) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine
PubChem CID56707493
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine
SMILESClc1ccc(-n2cccc2-c2ncc[nH]2)nc1
InChIInChI=1S/C12H9ClN4/c13-9-3-4-11(16-8-9)17-7-1-2-10(17)12-14-5-6-15-12/h1-8H,(H,14,15)
InChIKeyUOATUEMJDFLHPJ-UHFFFAOYSA-N
XLogP2.92
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine?
The IUPAC name of 5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine (CID 56707493) is 5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine.
What is the SMILES notation for 5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine?
The canonical SMILES for 5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine is Clc1ccc(-n2cccc2-c2ncc[nH]2)nc1.
What is the InChIKey of 5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine?
The InChIKey is UOATUEMJDFLHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-9-3-4-11(16-8-9)17-7-1-2-10(17)12-14-5-6-15-12/h1-8H,(H,14,15).
What are the key properties of 5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine?
5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine has a molecular weight of 244.69 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(1H-imidazol-2-yl)pyrrol-1-yl]pyridine is sourced from PubChem (CID 56707493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).