2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine

C9H9ClN4 — CID 63588052

IUPAC2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine
SMILESCc1nc(C)n(-c2cccc(Cl)n2)n1
InChIInChI=1S/C9H9ClN4/c1-6-11-7(2)14(13-6)9-5-3-4-8(10)12-9/h3-5H,1-2H3
InChIKeyMHEKRTAQIZUBKH-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.93
Rot. Bonds1

About 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine

2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine (PubChem CID 63588052) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine
PubChem CID63588052
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine
SMILESCc1nc(C)n(-c2cccc(Cl)n2)n1
InChIInChI=1S/C9H9ClN4/c1-6-11-7(2)14(13-6)9-5-3-4-8(10)12-9/h3-5H,1-2H3
InChIKeyMHEKRTAQIZUBKH-UHFFFAOYSA-N
XLogP1.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine?
The IUPAC name of 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine (CID 63588052) is 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine.
What is the SMILES notation for 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine?
The canonical SMILES for 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine is Cc1nc(C)n(-c2cccc(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine?
The InChIKey is MHEKRTAQIZUBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-6-11-7(2)14(13-6)9-5-3-4-8(10)12-9/h3-5H,1-2H3.
What are the key properties of 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine?
2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine has a molecular weight of 208.65 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine is sourced from PubChem (CID 63588052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).