3-methoxypyridine

C6H7NO — CID 23719

IUPAC3-methoxypyridine
SMILESCOc1cccnc1
InChIInChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
InChIKeyUMJSCPRVCHMLSP-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.09
Rot. Bonds1

About 3-methoxypyridine

3-methoxypyridine (PubChem CID 23719) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 3-methoxypyridine.

Molecular Properties

Compound Name3-methoxypyridine
PubChem CID23719
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name3-methoxypyridine
SMILESCOc1cccnc1
InChIInChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
InChIKeyUMJSCPRVCHMLSP-UHFFFAOYSA-N
XLogP1.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyridostigmine Bromide
CID 7550
Pyridostigmine
CID 4991
3-Hydroxypyridine
CID 7971
2-Methoxypyridine
CID 74201
5-(5-Methoxy-3-pyridinyl)-N-methyl-4-penten-2-amine, (2S,4E)-
CID 10262406
3-Pyridyl acetate
CID 87289
2-Methylpyridin-3-ol
CID 70719
A-85380
CID 5310969
A-84543
CID 9794141
2-Fluoro-A-85380
CID 10241442
[3H]methoxy-PEPy
CID 10910934
1-Ethyl-3-hydroxypyridinium bromide
CID 198590

Frequently Asked Questions

What is the IUPAC name of 3-methoxypyridine?
The IUPAC name of 3-methoxypyridine (CID 23719) is 3-methoxypyridine.
What is the SMILES notation for 3-methoxypyridine?
The canonical SMILES for 3-methoxypyridine is COc1cccnc1.
What is the InChIKey of 3-methoxypyridine?
The InChIKey is UMJSCPRVCHMLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3.
What are the key properties of 3-methoxypyridine?
3-methoxypyridine has a molecular weight of 109.13 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyridine is sourced from PubChem (CID 23719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).