5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine

C14H14ClNO — CID 80628878

IUPAC5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine
SMILESCc1ccccc1Oc1ncc(CCl)cc1C
InChIInChI=1S/C14H14ClNO/c1-10-5-3-4-6-13(10)17-14-11(2)7-12(8-15)9-16-14/h3-7,9H,8H2,1-2H3
InChIKeyHUMJMJQDAQGQPI-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.23
Rot. Bonds3

About 5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine

5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine (PubChem CID 80628878) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine
PubChem CID80628878
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine
SMILESCc1ccccc1Oc1ncc(CCl)cc1C
InChIInChI=1S/C14H14ClNO/c1-10-5-3-4-6-13(10)17-14-11(2)7-12(8-15)9-16-14/h3-7,9H,8H2,1-2H3
InChIKeyHUMJMJQDAQGQPI-UHFFFAOYSA-N
XLogP4.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 54.23
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

5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 107087048
5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine
CID 80628036
5-(chloromethyl)-2-(2-chloro-5-methylphenoxy)-3-methylpyridine
CID 80628031
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476
5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine
CID 80627929
[6-(2-ethoxyphenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628736
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine
CID 63446144
[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629406
[6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride
CID 157448294
3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine
CID 61267878
[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanol
CID 80628218

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine?
The IUPAC name of 5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine (CID 80628878) is 5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine.
What is the SMILES notation for 5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine?
The canonical SMILES for 5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine is Cc1ccccc1Oc1ncc(CCl)cc1C.
What is the InChIKey of 5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine?
The InChIKey is HUMJMJQDAQGQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-5-3-4-6-13(10)17-14-11(2)7-12(8-15)9-16-14/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine?
5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine has a molecular weight of 247.72 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine is sourced from PubChem (CID 80628878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).