2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile

C10H7N3O — CID 22308718

IUPAC2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile
SMILESCOC(=C(C#N)C#N)c1cccnc1
InChIInChI=1S/C10H7N3O/c1-14-10(9(5-11)6-12)8-3-2-4-13-7-8/h2-4,7H,1H3
InChIKeyGTPFTFZFQGYBTN-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.49
Rot. Bonds2

About 2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile

2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile (PubChem CID 22308718) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile
PubChem CID22308718
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile
SMILESCOC(=C(C#N)C#N)c1cccnc1
InChIInChI=1S/C10H7N3O/c1-14-10(9(5-11)6-12)8-3-2-4-13-7-8/h2-4,7H,1H3
InChIKeyGTPFTFZFQGYBTN-UHFFFAOYSA-N
XLogP1.49
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(111C)methyl pyridine-3-carboxylate
CID 11309537
[(Z)-1,2-dipyridin-3-yl-2-trimethylsilyloxyethenoxy]-trimethylsilane
CID 23261899
3-chloro-2-pyridin-3-ylprop-2-enenitrile
CID 91475354
(2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile
CID 15180171
cyano pyridine-3-carboximidate
CID 19734521
3-chloro-3-pyridin-3-ylprop-2-enenitrile
CID 74864132
CID 22254315
CID 22254315
butyl N-cyanopyridine-3-carboximidate
CID 10375608
3-phenyl-3-pyridin-3-ylprop-2-enenitrile
CID 66602387
(E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile
CID 6145439
(Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile
CID 12037398
(Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile
CID 5468216

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile?
The IUPAC name of 2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile (CID 22308718) is 2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile?
The canonical SMILES for 2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile is COC(=C(C#N)C#N)c1cccnc1.
What is the InChIKey of 2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile?
The InChIKey is GTPFTFZFQGYBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-14-10(9(5-11)6-12)8-3-2-4-13-7-8/h2-4,7H,1H3.
What are the key properties of 2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile?
2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile has a molecular weight of 185.19 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile is sourced from PubChem (CID 22308718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).