3-chloro-5-(chloromethyl)-2-ethylpyridine

C8H9Cl2N — CID 59698800

IUPAC3-chloro-5-(chloromethyl)-2-ethylpyridine
SMILESCCc1ncc(CCl)cc1Cl
InChIInChI=1S/C8H9Cl2N/c1-2-8-7(10)3-6(4-9)5-11-8/h3,5H,2,4H2,1H3
InChIKeyNQAYHWXZFXFUSX-UHFFFAOYSA-N
MW190.07 g/mol
LogP3.04
Rot. Bonds2

About 3-chloro-5-(chloromethyl)-2-ethylpyridine

3-chloro-5-(chloromethyl)-2-ethylpyridine (PubChem CID 59698800) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-2-ethylpyridine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-2-ethylpyridine
PubChem CID59698800
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name3-chloro-5-(chloromethyl)-2-ethylpyridine
SMILESCCc1ncc(CCl)cc1Cl
InChIInChI=1S/C8H9Cl2N/c1-2-8-7(10)3-6(4-9)5-11-8/h3,5H,2,4H2,1H3
InChIKeyNQAYHWXZFXFUSX-UHFFFAOYSA-N
XLogP3.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-chloro-5-(chloromethyl)-2-ethylpyridine?
The IUPAC name of 3-chloro-5-(chloromethyl)-2-ethylpyridine (CID 59698800) is 3-chloro-5-(chloromethyl)-2-ethylpyridine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-2-ethylpyridine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-2-ethylpyridine is CCc1ncc(CCl)cc1Cl.
What is the InChIKey of 3-chloro-5-(chloromethyl)-2-ethylpyridine?
The InChIKey is NQAYHWXZFXFUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N/c1-2-8-7(10)3-6(4-9)5-11-8/h3,5H,2,4H2,1H3.
What are the key properties of 3-chloro-5-(chloromethyl)-2-ethylpyridine?
3-chloro-5-(chloromethyl)-2-ethylpyridine has a molecular weight of 190.07 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-2-ethylpyridine is sourced from PubChem (CID 59698800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).