2,5-dimethylidenepyridine

C7H7N — CID 76588966

IUPAC2,5-dimethylidenepyridine
SMILESC=c1ccc(=C)nc1
InChIInChI=1S/C7H7N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H2
InChIKeyBEDDZDIIMKCBNX-UHFFFAOYSA-N
MW105.14 g/mol
LogP-0.10
Rot. Bonds

About 2,5-dimethylidenepyridine

2,5-dimethylidenepyridine (PubChem CID 76588966) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 2,5-dimethylidenepyridine.

Molecular Properties

Compound Name2,5-dimethylidenepyridine
PubChem CID76588966
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name2,5-dimethylidenepyridine
SMILESC=c1ccc(=C)nc1
InChIInChI=1S/C7H7N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H2
InChIKeyBEDDZDIIMKCBNX-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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Related Compounds

4Hindole
CID 15011916
3Benzazetine
CID 21909720
3-Methylenepyridine
CID 59803326
3-Methanidylidenepyridin-1-ium
CID 59909632
Bis(carbene)pyridine
CID 59931162
6h,7h-Quinoline
CID 67835501
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 90930168
(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
CID 91428366
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylprop-2-en-1-imine
CID 145540462
6-methylidene-3H-pyridine
CID 45079589

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylidenepyridine?
The IUPAC name of 2,5-dimethylidenepyridine (CID 76588966) is 2,5-dimethylidenepyridine.
What is the SMILES notation for 2,5-dimethylidenepyridine?
The canonical SMILES for 2,5-dimethylidenepyridine is C=c1ccc(=C)nc1.
What is the InChIKey of 2,5-dimethylidenepyridine?
The InChIKey is BEDDZDIIMKCBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H2.
What are the key properties of 2,5-dimethylidenepyridine?
2,5-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 2,5-dimethylidenepyridine is sourced from PubChem (CID 76588966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).