2-methoxypyridine;methyl formate

C8H11NO3 — CID 163953366

IUPAC2-methoxypyridine;methyl formate
SMILESCOC=O.COc1ccccn1
InChIInChI=1S/C6H7NO.C2H4O2/c1-8-6-4-2-3-5-7-6;1-4-2-3/h2-5H,1H3;2H,1H3
InChIKeySBGJASQUAZZZJW-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.88
Rot. Bonds2

About 2-methoxypyridine;methyl formate

2-methoxypyridine;methyl formate (PubChem CID 163953366) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-methoxypyridine;methyl formate.

Molecular Properties

Compound Name2-methoxypyridine;methyl formate
PubChem CID163953366
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-methoxypyridine;methyl formate
SMILESCOC=O.COc1ccccn1
InChIInChI=1S/C6H7NO.C2H4O2/c1-8-6-4-2-3-5-7-6;1-4-2-3/h2-5H,1H3;2H,1H3
InChIKeySBGJASQUAZZZJW-UHFFFAOYSA-N
XLogP0.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxypyridine
CID 71774587
2-methoxypyridine;hydrobromide
CID 157413143
ethane;methane;2-methoxypyridine
CID 142448470
2-methoxypyridine;methylphosphane
CID 143918814
dichloropalladium;2-methoxypyridine
CID 174694369
ethane;methanone;2-methoxypyridine;2-methylpropane;uranium
CID 171538339
formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde
CID 160654642
2-methoxypyridine;2-methylpyridine;propane
CID 171085047
ethane;2-methoxypyridine;3-methoxypyridine
CID 142284614
2-pyridin-2-yloxypropanal
CID 173353438
1,2-dichlorobenzene;methyl formate
CID 162103259
4,6-dimethoxy-2-pyridin-2-yloxypyrimidine
CID 91802250

Frequently Asked Questions

What is the IUPAC name of 2-methoxypyridine;methyl formate?
The IUPAC name of 2-methoxypyridine;methyl formate (CID 163953366) is 2-methoxypyridine;methyl formate.
What is the SMILES notation for 2-methoxypyridine;methyl formate?
The canonical SMILES for 2-methoxypyridine;methyl formate is COC=O.COc1ccccn1.
What is the InChIKey of 2-methoxypyridine;methyl formate?
The InChIKey is SBGJASQUAZZZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C2H4O2/c1-8-6-4-2-3-5-7-6;1-4-2-3/h2-5H,1H3;2H,1H3.
What are the key properties of 2-methoxypyridine;methyl formate?
2-methoxypyridine;methyl formate has a molecular weight of 169.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypyridine;methyl formate is sourced from PubChem (CID 163953366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).