(3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine

C9H7ClFN — CID 145414439

IUPAC(3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine
SMILESC=C(F)/C=c1/c(Cl)nccc1=C
InChIInChI=1S/C9H7ClFN/c1-6-3-4-12-9(10)8(6)5-7(2)11/h3-5H,1-2H2/b8-5+
InChIKeyUQXPPJSPYNKRHW-VMPITWQZSA-N
MW183.61 g/mol
LogP1.41
Rot. Bonds1

About (3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine

(3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine (PubChem CID 145414439) has the molecular formula C9H7ClFN and a molecular weight of 183.61 g/mol. Its IUPAC name is (3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine.

Molecular Properties

Compound Name(3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine
PubChem CID145414439
Molecular FormulaC9H7ClFN
Molecular Weight183.61 g/mol
Exact Mass183.03
IUPAC Name(3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine
SMILESC=C(F)/C=c1/c(Cl)nccc1=C
InChIInChI=1S/C9H7ClFN/c1-6-3-4-12-9(10)8(6)5-7(2)11/h3-5H,1-2H2/b8-5+
InChIKeyUQXPPJSPYNKRHW-VMPITWQZSA-N
XLogP1.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.61
LogP ≤ 51.41
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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Related Compounds

(E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride
CID 145143816
2-Chloro-3,4-di(ethylidene)-5-methylpyridine
CID 91064474
1-Chloro-6,7-dihydroisoquinoline
CID 123525909
(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine
CID 132264479
(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane
CID 144503750
(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane
CID 145048942
1,3-dichloro-8H-cyclohepta[c]pyridine
CID 145510105
3-chloro-5H-isoindole
CID 151622402
(E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride
CID 155728858
(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine
CID 144503751

Frequently Asked Questions

What is the IUPAC name of (3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine?
The IUPAC name of (3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine (CID 145414439) is (3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine.
What is the SMILES notation for (3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine?
The canonical SMILES for (3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine is C=C(F)/C=c1/c(Cl)nccc1=C.
What is the InChIKey of (3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine?
The InChIKey is UQXPPJSPYNKRHW-VMPITWQZSA-N. The full InChI is InChI=1S/C9H7ClFN/c1-6-3-4-12-9(10)8(6)5-7(2)11/h3-5H,1-2H2/b8-5+.
What are the key properties of (3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine?
(3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine has a molecular weight of 183.61 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine is sourced from PubChem (CID 145414439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).