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

C10H11ClN4 — CID 105067558

IUPAC4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine
SMILESCc1nc(C)n(-c2cnccc2CCl)n1
InChIInChI=1S/C10H11ClN4/c1-7-13-8(2)15(14-7)10-6-12-4-3-9(10)5-11/h3-4,6H,5H2,1-2H3
InChIKeyARTFGDJDTNRYTQ-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.02
Rot. Bonds2

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

4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine (PubChem CID 105067558) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine
PubChem CID105067558
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine
SMILESCc1nc(C)n(-c2cnccc2CCl)n1
InChIInChI=1S/C10H11ClN4/c1-7-13-8(2)15(14-7)10-6-12-4-3-9(10)5-11/h3-4,6H,5H2,1-2H3
InChIKeyARTFGDJDTNRYTQ-UHFFFAOYSA-N
XLogP2.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine
CID 105067574
4-(chloromethyl)-3-(3-methylpyrazol-1-yl)pyridine
CID 105067565
4-(chloromethyl)-3-(4-methylpyrazol-1-yl)pyridine
CID 105067553
6-(3,5-dimethyl-1,2,4-triazol-1-yl)isoquinolin-5-amine
CID 106948534
1-[4-(chloromethyl)-3-pyridinyl]benzotriazole
CID 105067552
1-[2-(bromomethyl)-5-chlorophenyl]-3,5-dimethyl-1,2,4-triazole
CID 107085916
4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine
CID 105067542
4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine
CID 105067554
1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105074627
4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine
CID 105067424
4-[4-(chloromethyl)-3-pyridinyl]-2,2-dimethylmorpholine
CID 105067324
1-[4-(chloromethyl)-3-pyridinyl]ethanone;hydrochloride
CID 131874634

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine?
The IUPAC name of 4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine (CID 105067558) is 4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine is Cc1nc(C)n(-c2cnccc2CCl)n1.
What is the InChIKey of 4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine?
The InChIKey is ARTFGDJDTNRYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7-13-8(2)15(14-7)10-6-12-4-3-9(10)5-11/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine?
4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine has a molecular weight of 222.68 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)pyridine is sourced from PubChem (CID 105067558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).