2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine

C9H9BrN4 — CID 135185425

IUPAC2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine
SMILESBrCCc1ncnn1-c1ccccn1
InChIInChI=1S/C9H9BrN4/c10-5-4-9-12-7-13-14(9)8-3-1-2-6-11-8/h1-3,6-7H,4-5H2
InChIKeyRHCBGDFWSXFHCF-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.60
Rot. Bonds3

About 2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine

2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 135185425) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID135185425
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine
SMILESBrCCc1ncnn1-c1ccccn1
InChIInChI=1S/C9H9BrN4/c10-5-4-9-12-7-13-14(9)8-3-1-2-6-11-8/h1-3,6-7H,4-5H2
InChIKeyRHCBGDFWSXFHCF-UHFFFAOYSA-N
XLogP1.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.60
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

2-[5-(chloromethyl)-1,2,4-triazol-1-yl]pyridine
CID 107447271
2-(5-methyl-1,2,4-triazol-1-yl)pyridine
CID 154284403
ethane;2-(5-methylpyrazol-1-yl)pyridine
CID 90883598
N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 135185533
2-(2-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 84661566
1-phenyl-5-propyl-1,2,4-triazole
CID 130383396
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
(2-isoquinolin-3-yl-1,2,4-triazol-3-yl)methylazanium chloride
CID 169041911
5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine
CID 103098897
(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanol
CID 66438330
2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 29078485
3-ethyl-N-[(2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethylsulfanyl)benzamide
CID 166817276

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine (CID 135185425) is 2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine is BrCCc1ncnn1-c1ccccn1.
What is the InChIKey of 2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is RHCBGDFWSXFHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c10-5-4-9-12-7-13-14(9)8-3-1-2-6-11-8/h1-3,6-7H,4-5H2.
What are the key properties of 2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine?
2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 253.10 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 135185425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).