3-ethylidene-4-methylidenepyridine

C8H9N — CID 90871730

IUPAC3-ethylidene-4-methylidenepyridine
SMILESC=c1ccncc1=CC
InChIInChI=1S/C8H9N/c1-3-8-6-9-5-4-7(8)2/h3-6H,2H2,1H3
InChIKeyQSHFLDSFLGEFPI-UHFFFAOYSA-N
MW119.17 g/mol
LogP0.29
Rot. Bonds

About 3-ethylidene-4-methylidenepyridine

3-ethylidene-4-methylidenepyridine (PubChem CID 90871730) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 3-ethylidene-4-methylidenepyridine.

Molecular Properties

Compound Name3-ethylidene-4-methylidenepyridine
PubChem CID90871730
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name3-ethylidene-4-methylidenepyridine
SMILESC=c1ccncc1=CC
InChIInChI=1S/C8H9N/c1-3-8-6-9-5-4-7(8)2/h3-6H,2H2,1H3
InChIKeyQSHFLDSFLGEFPI-UHFFFAOYSA-N
XLogP0.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-4-methylidenepyridine?
The IUPAC name of 3-ethylidene-4-methylidenepyridine (CID 90871730) is 3-ethylidene-4-methylidenepyridine.
What is the SMILES notation for 3-ethylidene-4-methylidenepyridine?
The canonical SMILES for 3-ethylidene-4-methylidenepyridine is C=c1ccncc1=CC.
What is the InChIKey of 3-ethylidene-4-methylidenepyridine?
The InChIKey is QSHFLDSFLGEFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-3-8-6-9-5-4-7(8)2/h3-6H,2H2,1H3.
What are the key properties of 3-ethylidene-4-methylidenepyridine?
3-ethylidene-4-methylidenepyridine has a molecular weight of 119.17 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-4-methylidenepyridine is sourced from PubChem (CID 90871730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).