5-(dimethoxymethyl)-2-methoxypyridine

C9H13NO3 — CID 13382641

IUPAC5-(dimethoxymethyl)-2-methoxypyridine
SMILESCOc1ccc(C(OC)OC)cn1
InChIInChI=1S/C9H13NO3/c1-11-8-5-4-7(6-10-8)9(12-2)13-3/h4-6,9H,1-3H3
InChIKeyZQERVHDUXSUNKN-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.38
Rot. Bonds4

About 5-(dimethoxymethyl)-2-methoxypyridine

5-(dimethoxymethyl)-2-methoxypyridine (PubChem CID 13382641) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-2-methoxypyridine.

Molecular Properties

Compound Name5-(dimethoxymethyl)-2-methoxypyridine
PubChem CID13382641
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name5-(dimethoxymethyl)-2-methoxypyridine
SMILESCOc1ccc(C(OC)OC)cn1
InChIInChI=1S/C9H13NO3/c1-11-8-5-4-7(6-10-8)9(12-2)13-3/h4-6,9H,1-3H3
InChIKeyZQERVHDUXSUNKN-UHFFFAOYSA-N
XLogP1.38
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Methoxypyridine
CID 74201
2-Ethoxypyridine
CID 84499
Methyl 6-methoxypyridine-3-carboxylate
CID 586039
(6-Phenoxypyridin-3-yl)methanol
CID 2776502
(2-Methoxypyridin-4-yl)methanamine
CID 16227983
Allyl 2-pyridyl ether
CID 79906
(Pyridin-3-yl)methyl acetate
CID 295656
(6-Methoxypyridin-3-yl)boronic acid
CID 2734368
(2-Methoxypyridin-3-yl)boronic acid
CID 2762709
2-Methoxy-5-(trifluoromethyl)pyridine
CID 2775312
Butyl 2-pyridyl ether
CID 95701
5-Iodo-2-methoxypyridine
CID 23423786

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-2-methoxypyridine?
The IUPAC name of 5-(dimethoxymethyl)-2-methoxypyridine (CID 13382641) is 5-(dimethoxymethyl)-2-methoxypyridine.
What is the SMILES notation for 5-(dimethoxymethyl)-2-methoxypyridine?
The canonical SMILES for 5-(dimethoxymethyl)-2-methoxypyridine is COc1ccc(C(OC)OC)cn1.
What is the InChIKey of 5-(dimethoxymethyl)-2-methoxypyridine?
The InChIKey is ZQERVHDUXSUNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-11-8-5-4-7(6-10-8)9(12-2)13-3/h4-6,9H,1-3H3.
What are the key properties of 5-(dimethoxymethyl)-2-methoxypyridine?
5-(dimethoxymethyl)-2-methoxypyridine has a molecular weight of 183.21 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-2-methoxypyridine is sourced from PubChem (CID 13382641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).