2-chloro-4-(4-ethyl-3-methylphenyl)pyridine

C14H14ClN — CID 122646749

IUPAC2-chloro-4-(4-ethyl-3-methylphenyl)pyridine
SMILESCCc1ccc(-c2ccnc(Cl)c2)cc1C
InChIInChI=1S/C14H14ClN/c1-3-11-4-5-12(8-10(11)2)13-6-7-16-14(15)9-13/h4-9H,3H2,1-2H3
InChIKeyQAASBGRHCLPHAS-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.27
Rot. Bonds2

About 2-chloro-4-(4-ethyl-3-methylphenyl)pyridine

2-chloro-4-(4-ethyl-3-methylphenyl)pyridine (PubChem CID 122646749) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 2-chloro-4-(4-ethyl-3-methylphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(4-ethyl-3-methylphenyl)pyridine
PubChem CID122646749
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name2-chloro-4-(4-ethyl-3-methylphenyl)pyridine
SMILESCCc1ccc(-c2ccnc(Cl)c2)cc1C
InChIInChI=1S/C14H14ClN/c1-3-11-4-5-12(8-10(11)2)13-6-7-16-14(15)9-13/h4-9H,3H2,1-2H3
InChIKeyQAASBGRHCLPHAS-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 2-chloro-4-(4-ethyl-3-methylphenyl)pyridine?
The IUPAC name of 2-chloro-4-(4-ethyl-3-methylphenyl)pyridine (CID 122646749) is 2-chloro-4-(4-ethyl-3-methylphenyl)pyridine.
What is the SMILES notation for 2-chloro-4-(4-ethyl-3-methylphenyl)pyridine?
The canonical SMILES for 2-chloro-4-(4-ethyl-3-methylphenyl)pyridine is CCc1ccc(-c2ccnc(Cl)c2)cc1C.
What is the InChIKey of 2-chloro-4-(4-ethyl-3-methylphenyl)pyridine?
The InChIKey is QAASBGRHCLPHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-3-11-4-5-12(8-10(11)2)13-6-7-16-14(15)9-13/h4-9H,3H2,1-2H3.
What are the key properties of 2-chloro-4-(4-ethyl-3-methylphenyl)pyridine?
2-chloro-4-(4-ethyl-3-methylphenyl)pyridine 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 2-chloro-4-(4-ethyl-3-methylphenyl)pyridine is sourced from PubChem (CID 122646749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).