5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine

C11H12BrN3 — CID 164655777

IUPAC5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine
SMILESCCc1cnn(-c2ccc(CBr)cn2)c1
InChIInChI=1S/C11H12BrN3/c1-2-9-7-14-15(8-9)11-4-3-10(5-12)6-13-11/h3-4,6-8H,2,5H2,1H3
InChIKeyRYFAGRPQRKVGRR-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.72
Rot. Bonds3

About 5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine

5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine (PubChem CID 164655777) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine
PubChem CID164655777
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine
SMILESCCc1cnn(-c2ccc(CBr)cn2)c1
InChIInChI=1S/C11H12BrN3/c1-2-9-7-14-15(8-9)11-4-3-10(5-12)6-13-11/h3-4,6-8H,2,5H2,1H3
InChIKeyRYFAGRPQRKVGRR-UHFFFAOYSA-N
XLogP2.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine?
The IUPAC name of 5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine (CID 164655777) is 5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine is CCc1cnn(-c2ccc(CBr)cn2)c1.
What is the InChIKey of 5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine?
The InChIKey is RYFAGRPQRKVGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-2-9-7-14-15(8-9)11-4-3-10(5-12)6-13-11/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine?
5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine has a molecular weight of 266.14 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine is sourced from PubChem (CID 164655777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).