3-methoxypyridin-1-ium-1-amine

C6H9N2O+ — CID 3828755

IUPAC3-methoxypyridin-1-ium-1-amine
SMILESCOc1ccc[n+](N)c1
InChIInChI=1S/C6H9N2O/c1-9-6-3-2-4-8(7)5-6/h2-5H,7H2,1H3/q+1
InChIKeyMOMGRVMZLYHFSY-UHFFFAOYSA-N
MW125.15 g/mol
LogP-0.30
Rot. Bonds1

About 3-methoxypyridin-1-ium-1-amine

3-methoxypyridin-1-ium-1-amine (PubChem CID 3828755) has the molecular formula C6H9N2O+ and a molecular weight of 125.15 g/mol. Its IUPAC name is 3-methoxypyridin-1-ium-1-amine.

Molecular Properties

Compound Name3-methoxypyridin-1-ium-1-amine
PubChem CID3828755
Molecular FormulaC6H9N2O+
Molecular Weight125.15 g/mol
Exact Mass125.07
IUPAC Name3-methoxypyridin-1-ium-1-amine
SMILESCOc1ccc[n+](N)c1
InChIInChI=1S/C6H9N2O/c1-9-6-3-2-4-8(7)5-6/h2-5H,7H2,1H3/q+1
InChIKeyMOMGRVMZLYHFSY-UHFFFAOYSA-N
XLogP-0.30
TPSA39.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methoxypyridin-1-ium
CID 23336886
ethyl 3-methoxypyridin-1-ium-1-carboxylate chloride
CID 15013823
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
acetylene;anisole
CID 86033716
CID 172849383
CID 172849383
anisole;guanidine
CID 172735542

Frequently Asked Questions

What is the IUPAC name of 3-methoxypyridin-1-ium-1-amine?
The IUPAC name of 3-methoxypyridin-1-ium-1-amine (CID 3828755) is 3-methoxypyridin-1-ium-1-amine.
What is the SMILES notation for 3-methoxypyridin-1-ium-1-amine?
The canonical SMILES for 3-methoxypyridin-1-ium-1-amine is COc1ccc[n+](N)c1.
What is the InChIKey of 3-methoxypyridin-1-ium-1-amine?
The InChIKey is MOMGRVMZLYHFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2O/c1-9-6-3-2-4-8(7)5-6/h2-5H,7H2,1H3/q+1.
What are the key properties of 3-methoxypyridin-1-ium-1-amine?
3-methoxypyridin-1-ium-1-amine has a molecular weight of 125.15 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyridin-1-ium-1-amine is sourced from PubChem (CID 3828755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).