2-chloro-4-(methoxymethyl)-6-methylpyridine

C8H10ClNO — CID 23380567

IUPAC2-chloro-4-(methoxymethyl)-6-methylpyridine
SMILESCOCc1cc(C)nc(Cl)c1
InChIInChI=1S/C8H10ClNO/c1-6-3-7(5-11-2)4-8(9)10-6/h3-4H,5H2,1-2H3
InChIKeyYQHCDMHOHUPSBA-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.19
Rot. Bonds2

About 2-chloro-4-(methoxymethyl)-6-methylpyridine

2-chloro-4-(methoxymethyl)-6-methylpyridine (PubChem CID 23380567) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-chloro-4-(methoxymethyl)-6-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-(methoxymethyl)-6-methylpyridine
PubChem CID23380567
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-chloro-4-(methoxymethyl)-6-methylpyridine
SMILESCOCc1cc(C)nc(Cl)c1
InChIInChI=1S/C8H10ClNO/c1-6-3-7(5-11-2)4-8(9)10-6/h3-4H,5H2,1-2H3
InChIKeyYQHCDMHOHUPSBA-UHFFFAOYSA-N
XLogP2.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.19
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-4-(methoxymethyl)-6-methylpyridine?
The IUPAC name of 2-chloro-4-(methoxymethyl)-6-methylpyridine (CID 23380567) is 2-chloro-4-(methoxymethyl)-6-methylpyridine.
What is the SMILES notation for 2-chloro-4-(methoxymethyl)-6-methylpyridine?
The canonical SMILES for 2-chloro-4-(methoxymethyl)-6-methylpyridine is COCc1cc(C)nc(Cl)c1.
What is the InChIKey of 2-chloro-4-(methoxymethyl)-6-methylpyridine?
The InChIKey is YQHCDMHOHUPSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-6-3-7(5-11-2)4-8(9)10-6/h3-4H,5H2,1-2H3.
What are the key properties of 2-chloro-4-(methoxymethyl)-6-methylpyridine?
2-chloro-4-(methoxymethyl)-6-methylpyridine has a molecular weight of 171.63 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methoxymethyl)-6-methylpyridine is sourced from PubChem (CID 23380567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).