3,4-dimethylidenepyridine

C7H7N — CID 59931163

IUPAC3,4-dimethylidenepyridine
SMILESC=c1ccncc1=C
InChIInChI=1S/C7H7N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H2
InChIKeyRLWPPESXQMLJTN-UHFFFAOYSA-N
MW105.14 g/mol
LogP-0.10
Rot. Bonds

About 3,4-dimethylidenepyridine

3,4-dimethylidenepyridine (PubChem CID 59931163) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 3,4-dimethylidenepyridine.

Molecular Properties

Compound Name3,4-dimethylidenepyridine
PubChem CID59931163
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name3,4-dimethylidenepyridine
SMILESC=c1ccncc1=C
InChIInChI=1S/C7H7N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H2
InChIKeyRLWPPESXQMLJTN-UHFFFAOYSA-N
XLogP-0.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylidenepyridine?
The IUPAC name of 3,4-dimethylidenepyridine (CID 59931163) is 3,4-dimethylidenepyridine.
What is the SMILES notation for 3,4-dimethylidenepyridine?
The canonical SMILES for 3,4-dimethylidenepyridine is C=c1ccncc1=C.
What is the InChIKey of 3,4-dimethylidenepyridine?
The InChIKey is RLWPPESXQMLJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H2.
What are the key properties of 3,4-dimethylidenepyridine?
3,4-dimethylidenepyridine has a molecular weight of 105.14 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylidenepyridine is sourced from PubChem (CID 59931163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).