N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine

C13H12N2O — CID 23724221

IUPACN-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
SMILESCON=C(c1ccccc1)c1cccnc1
InChIInChI=1S/C13H12N2O/c1-16-15-13(11-6-3-2-4-7-11)12-8-5-9-14-10-12/h2-10H,1H3
InChIKeyDCSQUVKOOWDPIA-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.48
Rot. Bonds3

About N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine

N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine (PubChem CID 23724221) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
PubChem CID23724221
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
SMILESCON=C(c1ccccc1)c1cccnc1
InChIInChI=1S/C13H12N2O/c1-16-15-13(11-6-3-2-4-7-11)12-8-5-9-14-10-12/h2-10H,1H3
InChIKeyDCSQUVKOOWDPIA-UHFFFAOYSA-N
XLogP2.48
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
CID 15144858
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
N'-methoxypyridine-3-carboximidamide
CID 82467799
[[phenyl(pyridin-3-yl)methylidene]amino] 3-phenylprop-2-enoate
CID 5073278
N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine
CID 137097951
1-(3,4-dimethoxyphenyl)-N-(2-phenylethoxy)-1-pyridin-3-ylmethanimine
CID 173361338
[(E)-1-phenylpropylideneamino] pyridine-3-carboxylate
CID 10106353
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
(111C)methyl pyridine-3-carboxylate
CID 11309537
2-[(Z)-[(4-chlorophenyl)-pyridin-3-ylmethylidene]amino]oxyethyl-dimethylazanium
CID 7038310
(E)-N-methoxy-1-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanimine
CID 87653135
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine?
The IUPAC name of N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine (CID 23724221) is N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine is CON=C(c1ccccc1)c1cccnc1.
What is the InChIKey of N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine?
The InChIKey is DCSQUVKOOWDPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-16-15-13(11-6-3-2-4-7-11)12-8-5-9-14-10-12/h2-10H,1H3.
What are the key properties of N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine?
N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine has a molecular weight of 212.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 23724221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).