4-(4-chlorophenyl)-2-methoxy-5-methylpyridine

C13H12ClNO — CID 126625290

IUPAC4-(4-chlorophenyl)-2-methoxy-5-methylpyridine
SMILESCOc1cc(-c2ccc(Cl)cc2)c(C)cn1
InChIInChI=1S/C13H12ClNO/c1-9-8-15-13(16-2)7-12(9)10-3-5-11(14)6-4-10/h3-8H,1-2H3
InChIKeyPCLPIMBQKNFWGF-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.72
Rot. Bonds2

About 4-(4-chlorophenyl)-2-methoxy-5-methylpyridine

4-(4-chlorophenyl)-2-methoxy-5-methylpyridine (PubChem CID 126625290) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methoxy-5-methylpyridine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methoxy-5-methylpyridine
PubChem CID126625290
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name4-(4-chlorophenyl)-2-methoxy-5-methylpyridine
SMILESCOc1cc(-c2ccc(Cl)cc2)c(C)cn1
InChIInChI=1S/C13H12ClNO/c1-9-8-15-13(16-2)7-12(9)10-3-5-11(14)6-4-10/h3-8H,1-2H3
InChIKeyPCLPIMBQKNFWGF-UHFFFAOYSA-N
XLogP3.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methoxy-5-methylpyridine?
The IUPAC name of 4-(4-chlorophenyl)-2-methoxy-5-methylpyridine (CID 126625290) is 4-(4-chlorophenyl)-2-methoxy-5-methylpyridine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methoxy-5-methylpyridine?
The canonical SMILES for 4-(4-chlorophenyl)-2-methoxy-5-methylpyridine is COc1cc(-c2ccc(Cl)cc2)c(C)cn1.
What is the InChIKey of 4-(4-chlorophenyl)-2-methoxy-5-methylpyridine?
The InChIKey is PCLPIMBQKNFWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-8-15-13(16-2)7-12(9)10-3-5-11(14)6-4-10/h3-8H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-methoxy-5-methylpyridine?
4-(4-chlorophenyl)-2-methoxy-5-methylpyridine has a molecular weight of 233.70 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-methoxy-5-methylpyridine is sourced from PubChem (CID 126625290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).