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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Related Compounds

5-Chloro-3-ethyl-1,2,4-triazolo[4,3-a]pyridine
CID 324444
6-Chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 911462
5-Chloro-3-(1,1-dimethylethyl)-1,2,4-triazolo(4,3-a)pyridine
CID 324436
5-Chloro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 324449
27187-13-9
CID 324440
4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
CID 166635038
5-Chloro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 21464413
5-Chloro-(1,2,3,4)tetrazolo(1,5-a)pyridine
CID 47003286
5-Chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 84649884
5,7-Dichloro-(1,2,4)triazolo(1,5-a)pyridine
CID 122540587
6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 1476342
3-Benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
CID 2143096

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).