4-(bromomethyl)-2,6-dichloro-3-ethylpyridine

C8H8BrCl2N — CID 15154284

IUPAC4-(bromomethyl)-2,6-dichloro-3-ethylpyridine
SMILESCCc1c(CBr)cc(Cl)nc1Cl
InChIInChI=1S/C8H8BrCl2N/c1-2-6-5(4-9)3-7(10)12-8(6)11/h3H,2,4H2,1H3
InChIKeyJCRAXFDNEPEBNQ-UHFFFAOYSA-N
MW268.97 g/mol
LogP3.85
Rot. Bonds2

About 4-(bromomethyl)-2,6-dichloro-3-ethylpyridine

4-(bromomethyl)-2,6-dichloro-3-ethylpyridine (PubChem CID 15154284) has the molecular formula C8H8BrCl2N and a molecular weight of 268.97 g/mol. Its IUPAC name is 4-(bromomethyl)-2,6-dichloro-3-ethylpyridine.

Molecular Properties

Compound Name4-(bromomethyl)-2,6-dichloro-3-ethylpyridine
PubChem CID15154284
Molecular FormulaC8H8BrCl2N
Molecular Weight268.97 g/mol
Exact Mass266.92
IUPAC Name4-(bromomethyl)-2,6-dichloro-3-ethylpyridine
SMILESCCc1c(CBr)cc(Cl)nc1Cl
InChIInChI=1S/C8H8BrCl2N/c1-2-6-5(4-9)3-7(10)12-8(6)11/h3H,2,4H2,1H3
InChIKeyJCRAXFDNEPEBNQ-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.97
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2,6-dichloro-3-ethylpyridine?
The IUPAC name of 4-(bromomethyl)-2,6-dichloro-3-ethylpyridine (CID 15154284) is 4-(bromomethyl)-2,6-dichloro-3-ethylpyridine.
What is the SMILES notation for 4-(bromomethyl)-2,6-dichloro-3-ethylpyridine?
The canonical SMILES for 4-(bromomethyl)-2,6-dichloro-3-ethylpyridine is CCc1c(CBr)cc(Cl)nc1Cl.
What is the InChIKey of 4-(bromomethyl)-2,6-dichloro-3-ethylpyridine?
The InChIKey is JCRAXFDNEPEBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrCl2N/c1-2-6-5(4-9)3-7(10)12-8(6)11/h3H,2,4H2,1H3.
What are the key properties of 4-(bromomethyl)-2,6-dichloro-3-ethylpyridine?
4-(bromomethyl)-2,6-dichloro-3-ethylpyridine has a molecular weight of 268.97 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2,6-dichloro-3-ethylpyridine is sourced from PubChem (CID 15154284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).