3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine

C10H11BrN4 — CID 130571658

IUPAC3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine
SMILESCc1ncccc1Cn1cc(CBr)nn1
InChIInChI=1S/C10H11BrN4/c1-8-9(3-2-4-12-8)6-15-7-10(5-11)13-14-15/h2-4,7H,5-6H2,1H3
InChIKeyVHBNJQFMVVXBHB-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.92
Rot. Bonds3

About 3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine

3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine (PubChem CID 130571658) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine.

Molecular Properties

Compound Name3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine
PubChem CID130571658
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine
SMILESCc1ncccc1Cn1cc(CBr)nn1
InChIInChI=1S/C10H11BrN4/c1-8-9(3-2-4-12-8)6-15-7-10(5-11)13-14-15/h2-4,7H,5-6H2,1H3
InChIKeyVHBNJQFMVVXBHB-UHFFFAOYSA-N
XLogP1.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.92
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-(2-bromoethyl)-1-[(2-methylphenyl)methyl]triazole
CID 62394253
2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine
CID 130571681
4-(bromomethyl)-1-[(1-methyltriazol-4-yl)methyl]triazole
CID 107052782
4-(bromomethyl)-1-ethyltriazole
CID 62400485
4-(bromomethyl)-1-[(2-bromo-3-nitrophenyl)methyl]triazole
CID 114048925
4-(bromomethyl)-1-[(2-fluoro-4-methoxyphenyl)methyl]triazole
CID 102878737
4-(bromomethyl)-1-[(4-phenylphenyl)methyl]triazole
CID 62399723
4-(bromomethyl)-1-[(1-methylpyrazol-3-yl)methyl]triazole
CID 82877316
ethane;3-ethyl-2-methylpyridine
CID 143071594
4-(bromomethyl)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]triazole
CID 62402145
5-[[4-(bromomethyl)triazol-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 62401990
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine?
The IUPAC name of 3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine (CID 130571658) is 3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine.
What is the SMILES notation for 3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine?
The canonical SMILES for 3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine is Cc1ncccc1Cn1cc(CBr)nn1.
What is the InChIKey of 3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine?
The InChIKey is VHBNJQFMVVXBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-8-9(3-2-4-12-8)6-15-7-10(5-11)13-14-15/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine?
3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine has a molecular weight of 267.13 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine is sourced from PubChem (CID 130571658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).