6-chloro-3-ethylidene-2-methylidenepyridine

C8H8ClN — CID 91385166

IUPAC6-chloro-3-ethylidene-2-methylidenepyridine
SMILESC=c1nc(Cl)ccc1=CC
InChIInChI=1S/C8H8ClN/c1-3-7-4-5-8(9)10-6(7)2/h3-5H,2H2,1H3
InChIKeyCYVMUJGRCBNWNB-UHFFFAOYSA-N
MW153.61 g/mol
LogP0.95
Rot. Bonds

About 6-chloro-3-ethylidene-2-methylidenepyridine

6-chloro-3-ethylidene-2-methylidenepyridine (PubChem CID 91385166) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 6-chloro-3-ethylidene-2-methylidenepyridine.

Molecular Properties

Compound Name6-chloro-3-ethylidene-2-methylidenepyridine
PubChem CID91385166
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name6-chloro-3-ethylidene-2-methylidenepyridine
SMILESC=c1nc(Cl)ccc1=CC
InChIInChI=1S/C8H8ClN/c1-3-7-4-5-8(9)10-6(7)2/h3-5H,2H2,1H3
InChIKeyCYVMUJGRCBNWNB-UHFFFAOYSA-N
XLogP0.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethylidene-2-methylidenepyridine?
The IUPAC name of 6-chloro-3-ethylidene-2-methylidenepyridine (CID 91385166) is 6-chloro-3-ethylidene-2-methylidenepyridine.
What is the SMILES notation for 6-chloro-3-ethylidene-2-methylidenepyridine?
The canonical SMILES for 6-chloro-3-ethylidene-2-methylidenepyridine is C=c1nc(Cl)ccc1=CC.
What is the InChIKey of 6-chloro-3-ethylidene-2-methylidenepyridine?
The InChIKey is CYVMUJGRCBNWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN/c1-3-7-4-5-8(9)10-6(7)2/h3-5H,2H2,1H3.
What are the key properties of 6-chloro-3-ethylidene-2-methylidenepyridine?
6-chloro-3-ethylidene-2-methylidenepyridine has a molecular weight of 153.61 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethylidene-2-methylidenepyridine is sourced from PubChem (CID 91385166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).