6-chloro-3-(4-ethylphenyl)-2-methylpyridine

C14H14ClN — CID 141210681

IUPAC6-chloro-3-(4-ethylphenyl)-2-methylpyridine
SMILESCCc1ccc(-c2ccc(Cl)nc2C)cc1
InChIInChI=1S/C14H14ClN/c1-3-11-4-6-12(7-5-11)13-8-9-14(15)16-10(13)2/h4-9H,3H2,1-2H3
InChIKeyFBDXCOKDBMKVGG-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.27
Rot. Bonds2

About 6-chloro-3-(4-ethylphenyl)-2-methylpyridine

6-chloro-3-(4-ethylphenyl)-2-methylpyridine (PubChem CID 141210681) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 6-chloro-3-(4-ethylphenyl)-2-methylpyridine.

Molecular Properties

Compound Name6-chloro-3-(4-ethylphenyl)-2-methylpyridine
PubChem CID141210681
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name6-chloro-3-(4-ethylphenyl)-2-methylpyridine
SMILESCCc1ccc(-c2ccc(Cl)nc2C)cc1
InChIInChI=1S/C14H14ClN/c1-3-11-4-6-12(7-5-11)13-8-9-14(15)16-10(13)2/h4-9H,3H2,1-2H3
InChIKeyFBDXCOKDBMKVGG-UHFFFAOYSA-N
XLogP4.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-ethylphenyl)-2-methylpyridine?
The IUPAC name of 6-chloro-3-(4-ethylphenyl)-2-methylpyridine (CID 141210681) is 6-chloro-3-(4-ethylphenyl)-2-methylpyridine.
What is the SMILES notation for 6-chloro-3-(4-ethylphenyl)-2-methylpyridine?
The canonical SMILES for 6-chloro-3-(4-ethylphenyl)-2-methylpyridine is CCc1ccc(-c2ccc(Cl)nc2C)cc1.
What is the InChIKey of 6-chloro-3-(4-ethylphenyl)-2-methylpyridine?
The InChIKey is FBDXCOKDBMKVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-3-11-4-6-12(7-5-11)13-8-9-14(15)16-10(13)2/h4-9H,3H2,1-2H3.
What are the key properties of 6-chloro-3-(4-ethylphenyl)-2-methylpyridine?
6-chloro-3-(4-ethylphenyl)-2-methylpyridine has a molecular weight of 231.73 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-ethylphenyl)-2-methylpyridine is sourced from PubChem (CID 141210681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).