2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine

C11H13ClN4O — CID 79168623

IUPAC2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine
SMILESCc1ccc(OCc2ncnn2C)c(CCl)n1
InChIInChI=1S/C11H13ClN4O/c1-8-3-4-10(9(5-12)15-8)17-6-11-13-7-14-16(11)2/h3-4,7H,5-6H2,1-2H3
InChIKeyJXLCMWVRUIOPFB-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.84
Rot. Bonds4

About 2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine

2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine (PubChem CID 79168623) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine
PubChem CID79168623
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine
SMILESCc1ccc(OCc2ncnn2C)c(CCl)n1
InChIInChI=1S/C11H13ClN4O/c1-8-3-4-10(9(5-12)15-8)17-6-11-13-7-14-16(11)2/h3-4,7H,5-6H2,1-2H3
InChIKeyJXLCMWVRUIOPFB-UHFFFAOYSA-N
XLogP1.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
CID 105404335
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine
CID 79163859
5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole
CID 112641160
2-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-4-methoxy-3,5-dimethylpyridine
CID 79163845
1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79151277
2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine
CID 106454021
2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
CID 79168619
2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine
CID 79169037
4-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79231453
3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine
CID 79168706
2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine
CID 79168865
6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79163844

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine?
The IUPAC name of 2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine (CID 79168623) is 2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine is Cc1ccc(OCc2ncnn2C)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine?
The InChIKey is JXLCMWVRUIOPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-8-3-4-10(9(5-12)15-8)17-6-11-13-7-14-16(11)2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine?
2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine has a molecular weight of 252.71 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine is sourced from PubChem (CID 79168623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).