2-chloro-5-[(4-methoxyphenyl)methyl]pyridine

C13H12ClNO — CID 66545124

IUPAC2-chloro-5-[(4-methoxyphenyl)methyl]pyridine
SMILESCOc1ccc(Cc2ccc(Cl)nc2)cc1
InChIInChI=1S/C13H12ClNO/c1-16-12-5-2-10(3-6-12)8-11-4-7-13(14)15-9-11/h2-7,9H,8H2,1H3
InChIKeyTVOBESLVSRBNDU-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.33
Rot. Bonds3

About 2-chloro-5-[(4-methoxyphenyl)methyl]pyridine

2-chloro-5-[(4-methoxyphenyl)methyl]pyridine (PubChem CID 66545124) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-chloro-5-[(4-methoxyphenyl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(4-methoxyphenyl)methyl]pyridine
PubChem CID66545124
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-chloro-5-[(4-methoxyphenyl)methyl]pyridine
SMILESCOc1ccc(Cc2ccc(Cl)nc2)cc1
InChIInChI=1S/C13H12ClNO/c1-16-12-5-2-10(3-6-12)8-11-4-7-13(14)15-9-11/h2-7,9H,8H2,1H3
InChIKeyTVOBESLVSRBNDU-UHFFFAOYSA-N
XLogP3.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-5-[(4-methoxyphenyl)methyl]pyridine?
The IUPAC name of 2-chloro-5-[(4-methoxyphenyl)methyl]pyridine (CID 66545124) is 2-chloro-5-[(4-methoxyphenyl)methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(4-methoxyphenyl)methyl]pyridine?
The canonical SMILES for 2-chloro-5-[(4-methoxyphenyl)methyl]pyridine is COc1ccc(Cc2ccc(Cl)nc2)cc1.
What is the InChIKey of 2-chloro-5-[(4-methoxyphenyl)methyl]pyridine?
The InChIKey is TVOBESLVSRBNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-16-12-5-2-10(3-6-12)8-11-4-7-13(14)15-9-11/h2-7,9H,8H2,1H3.
What are the key properties of 2-chloro-5-[(4-methoxyphenyl)methyl]pyridine?
2-chloro-5-[(4-methoxyphenyl)methyl]pyridine has a molecular weight of 233.70 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methoxyphenyl)methyl]pyridine is sourced from PubChem (CID 66545124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).