2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine

C11H11ClN2 — CID 58592618

IUPAC2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine
SMILESCc1cc(-c2ccnc(Cl)c2)cn1C
InChIInChI=1S/C11H11ClN2/c1-8-5-10(7-14(8)2)9-3-4-13-11(12)6-9/h3-7H,1-2H3
InChIKeyUZLUKQYXKNTFGJ-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.05
Rot. Bonds1

About 2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine

2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine (PubChem CID 58592618) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine
PubChem CID58592618
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine
SMILESCc1cc(-c2ccnc(Cl)c2)cn1C
InChIInChI=1S/C11H11ClN2/c1-8-5-10(7-14(8)2)9-3-4-13-11(12)6-9/h3-7H,1-2H3
InChIKeyUZLUKQYXKNTFGJ-UHFFFAOYSA-N
XLogP3.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine?
The IUPAC name of 2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine (CID 58592618) is 2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine?
The canonical SMILES for 2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine is Cc1cc(-c2ccnc(Cl)c2)cn1C.
What is the InChIKey of 2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine?
The InChIKey is UZLUKQYXKNTFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-8-5-10(7-14(8)2)9-3-4-13-11(12)6-9/h3-7H,1-2H3.
What are the key properties of 2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine?
2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine has a molecular weight of 206.68 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine is sourced from PubChem (CID 58592618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).