5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine

C10H14ClNO2 — CID 14174287

IUPAC5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine
SMILESCOCc1c(CCl)cnc(C)c1OC
InChIInChI=1S/C10H14ClNO2/c1-7-10(14-3)9(6-13-2)8(4-11)5-12-7/h5H,4,6H2,1-3H3
InChIKeyBYSADASHYHWOPP-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.28
Rot. Bonds4

About 5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine

5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine (PubChem CID 14174287) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine.

Molecular Properties

Compound Name5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine
PubChem CID14174287
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine
SMILESCOCc1c(CCl)cnc(C)c1OC
InChIInChI=1S/C10H14ClNO2/c1-7-10(14-3)9(6-13-2)8(4-11)5-12-7/h5H,4,6H2,1-3H3
InChIKeyBYSADASHYHWOPP-UHFFFAOYSA-N
XLogP2.28
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine?
The IUPAC name of 5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine (CID 14174287) is 5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine.
What is the SMILES notation for 5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine?
The canonical SMILES for 5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine is COCc1c(CCl)cnc(C)c1OC.
What is the InChIKey of 5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine?
The InChIKey is BYSADASHYHWOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7-10(14-3)9(6-13-2)8(4-11)5-12-7/h5H,4,6H2,1-3H3.
What are the key properties of 5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine?
5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine has a molecular weight of 215.68 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine is sourced from PubChem (CID 14174287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).