2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine

C11H12ClN3 — CID 139300479

IUPAC2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine
SMILESCc1cc(Cl)nc(-n2nc(C)cc2C)c1
InChIInChI=1S/C11H12ClN3/c1-7-4-10(12)13-11(5-7)15-9(3)6-8(2)14-15/h4-6H,1-3H3
InChIKeyVHQZLOKQJAIICC-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.85
Rot. Bonds1

About 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine

2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine (PubChem CID 139300479) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine.

Molecular Properties

Compound Name2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine
PubChem CID139300479
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine
SMILESCc1cc(Cl)nc(-n2nc(C)cc2C)c1
InChIInChI=1S/C11H12ClN3/c1-7-4-10(12)13-11(5-7)15-9(3)6-8(2)14-15/h4-6H,1-3H3
InChIKeyVHQZLOKQJAIICC-UHFFFAOYSA-N
XLogP2.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 762223
4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine
CID 169409430
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine
CID 139300724
3-(3,5-dimethylpyrazol-1-yl)-5-methylpyridazine
CID 106550824
1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole
CID 39240351
2-chloro-4,6-dimethyl(213C,115N)pyridine
CID 130416231
[3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol
CID 59570672
2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768027
2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80965254
6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 80647714
3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole
CID 12560600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine?
The IUPAC name of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine (CID 139300479) is 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine.
What is the SMILES notation for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine?
The canonical SMILES for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine is Cc1cc(Cl)nc(-n2nc(C)cc2C)c1.
What is the InChIKey of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine?
The InChIKey is VHQZLOKQJAIICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-7-4-10(12)13-11(5-7)15-9(3)6-8(2)14-15/h4-6H,1-3H3.
What are the key properties of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine?
2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine has a molecular weight of 221.69 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine is sourced from PubChem (CID 139300479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).