4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile

C14H11N3O — CID 86728655

IUPAC4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile
SMILESCOc1cc(/N=C/c2ccc(C#N)cc2)ccn1
InChIInChI=1S/C14H11N3O/c1-18-14-8-13(6-7-16-14)17-10-12-4-2-11(9-15)3-5-12/h2-8,10H,1H3/b17-10+
InChIKeyIELNCBKJBUNVJE-LICLKQGHSA-N
MW237.26 g/mol
LogP2.71
Rot. Bonds3

About 4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile

4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile (PubChem CID 86728655) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile
PubChem CID86728655
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile
SMILESCOc1cc(/N=C/c2ccc(C#N)cc2)ccn1
InChIInChI=1S/C14H11N3O/c1-18-14-8-13(6-7-16-14)17-10-12-4-2-11(9-15)3-5-12/h2-8,10H,1H3/b17-10+
InChIKeyIELNCBKJBUNVJE-LICLKQGHSA-N
XLogP2.71
TPSA58.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine
CID 174906816
4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile
CID 86728880
2-methoxy-4-nitrosopyridine
CID 178043573
4-[[3-chloro-4-[(4-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile
CID 1377556
4-[(4-ethylphenyl)iminomethyl]benzonitrile
CID 23167748
3-[(4-ethoxyphenyl)methylideneamino]benzonitrile
CID 613591
4-[(5-amino-2-methoxyphenyl)iminomethyl]benzonitrile
CID 2354568
4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile
CID 11195390
4-[[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 166605362
4-[4-[8-[4-[[4-[8-[4-[[4-[8-[4-(4-cyanophenyl)phenoxy]octoxy]phenyl]methylideneamino]phenoxy]octoxy]phenyl]iminomethyl]phenoxy]octoxy]phenyl]benzonitrile
CID 100997509
2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine
CID 158826135
4-[[4-(6-hydroxyhexoxy)phenyl]iminomethyl]benzonitrile
CID 102069288

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile?
The IUPAC name of 4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile (CID 86728655) is 4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile.
What is the SMILES notation for 4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile?
The canonical SMILES for 4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile is COc1cc(/N=C/c2ccc(C#N)cc2)ccn1.
What is the InChIKey of 4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile?
The InChIKey is IELNCBKJBUNVJE-LICLKQGHSA-N. The full InChI is InChI=1S/C14H11N3O/c1-18-14-8-13(6-7-16-14)17-10-12-4-2-11(9-15)3-5-12/h2-8,10H,1H3/b17-10+.
What are the key properties of 4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile?
4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile has a molecular weight of 237.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile is sourced from PubChem (CID 86728655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).