5-(chloromethyl)-2-(4-methoxyphenyl)pyridine

C13H12ClNO — CID 2763864

IUPAC5-(chloromethyl)-2-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccc(CCl)cn2)cc1
InChIInChI=1S/C13H12ClNO/c1-16-12-5-3-11(4-6-12)13-7-2-10(8-14)9-15-13/h2-7,9H,8H2,1H3
InChIKeyGILJEKJFSNXZHJ-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.50
Rot. Bonds3

About 5-(chloromethyl)-2-(4-methoxyphenyl)pyridine

5-(chloromethyl)-2-(4-methoxyphenyl)pyridine (PubChem CID 2763864) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-methoxyphenyl)pyridine
PubChem CID2763864
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name5-(chloromethyl)-2-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccc(CCl)cn2)cc1
InChIInChI=1S/C13H12ClNO/c1-16-12-5-3-11(4-6-12)13-7-2-10(8-14)9-15-13/h2-7,9H,8H2,1H3
InChIKeyGILJEKJFSNXZHJ-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-5-propylpyridine
CID 54073906
5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
CID 62756442
5-(chloromethyl)-2-(4-methylsulfonylphenyl)pyridine
CID 146419326
6-(4-methoxyphenyl)pyridin-3-ol
CID 53229210
5-methoxy-2-pyridin-4-ylpyridine
CID 46315979
5-[4-(4-methoxyphenyl)phenyl]pyrazin-2-amine
CID 25140980
3-(4-methoxyphenyl)-6-(4-propylphenyl)pyridazine
CID 14669906
7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 82064434
5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 75528285
[2-[6-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-pyridinyl]-1H-imidazol-5-yl]methanol
CID 135265594
2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 134179071
1-(chloromethyl)-4-(4-methoxyphenyl)imidazole
CID 53415933

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(4-methoxyphenyl)pyridine?
The IUPAC name of 5-(chloromethyl)-2-(4-methoxyphenyl)pyridine (CID 2763864) is 5-(chloromethyl)-2-(4-methoxyphenyl)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(4-methoxyphenyl)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-(4-methoxyphenyl)pyridine is COc1ccc(-c2ccc(CCl)cn2)cc1.
What is the InChIKey of 5-(chloromethyl)-2-(4-methoxyphenyl)pyridine?
The InChIKey is GILJEKJFSNXZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-16-12-5-3-11(4-6-12)13-7-2-10(8-14)9-15-13/h2-7,9H,8H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(4-methoxyphenyl)pyridine?
5-(chloromethyl)-2-(4-methoxyphenyl)pyridine has a molecular weight of 233.70 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(4-methoxyphenyl)pyridine is sourced from PubChem (CID 2763864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).