2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine

C11H14ClNO4 — CID 164856462

IUPAC2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine
SMILESCOc1cc(OCC2COCCO2)cc(Cl)n1
InChIInChI=1S/C11H14ClNO4/c1-14-11-5-8(4-10(12)13-11)17-7-9-6-15-2-3-16-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeySBBTVBOPUTUQRR-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.54
Rot. Bonds4

About 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine

2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine (PubChem CID 164856462) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine.

Molecular Properties

Compound Name2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine
PubChem CID164856462
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine
SMILESCOc1cc(OCC2COCCO2)cc(Cl)n1
InChIInChI=1S/C11H14ClNO4/c1-14-11-5-8(4-10(12)13-11)17-7-9-6-15-2-3-16-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeySBBTVBOPUTUQRR-UHFFFAOYSA-N
XLogP1.54
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 102286855
2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine
CID 164856299
N-[3-[4-[6-chloro-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-2-pyridinyl]-3-methylphenyl]prop-2-ynyl]aniline
CID 167420520
4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one
CID 164856478
2-[(4-chloro-3,5-dimethylphenoxy)methyl]oxirane
CID 43175697
4-(1,4-dioxan-2-ylmethoxy)-6-methyl-2-methylsulfonylpyrimidine
CID 164856313
3-[6-(1,4-dioxan-2-ylmethoxy)naphthalen-2-yl]-1-methylpyrazole
CID 175643181
2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine
CID 167420574
2-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-methoxy-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine
CID 164856213
2-[[3-methoxy-4-methyl-5-[4-(2,2,2-trifluoroethoxy)phenyl]phenoxy]methyl]-1,4-dioxane
CID 164856629
2-chloro-6-methoxy-4-(oxan-3-ylsulfonylmethyl)pyridine
CID 167862347
4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine
CID 162687373

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine?
The IUPAC name of 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine (CID 164856462) is 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine.
What is the SMILES notation for 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine?
The canonical SMILES for 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine is COc1cc(OCC2COCCO2)cc(Cl)n1.
What is the InChIKey of 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine?
The InChIKey is SBBTVBOPUTUQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c1-14-11-5-8(4-10(12)13-11)17-7-9-6-15-2-3-16-9/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine?
2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine has a molecular weight of 259.69 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine is sourced from PubChem (CID 164856462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).