2-chloro-3,4-di(ethylidene)-5-methylpyridine

C10H12ClN — CID 91064474

IUPAC2-chloro-3,4-di(ethylidene)-5-methylpyridine
SMILESCC=c1c(C)cnc(Cl)c1=CC
InChIInChI=1S/C10H12ClN/c1-4-8-7(3)6-12-10(11)9(8)5-2/h4-6H,1-3H3
InChIKeyKADCFMZSLCSBLB-UHFFFAOYSA-N
MW181.67 g/mol
LogP1.64
Rot. Bonds

About 2-chloro-3,4-di(ethylidene)-5-methylpyridine

2-chloro-3,4-di(ethylidene)-5-methylpyridine (PubChem CID 91064474) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-chloro-3,4-di(ethylidene)-5-methylpyridine.

Molecular Properties

Compound Name2-chloro-3,4-di(ethylidene)-5-methylpyridine
PubChem CID91064474
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-chloro-3,4-di(ethylidene)-5-methylpyridine
SMILESCC=c1c(C)cnc(Cl)c1=CC
InChIInChI=1S/C10H12ClN/c1-4-8-7(3)6-12-10(11)9(8)5-2/h4-6H,1-3H3
InChIKeyKADCFMZSLCSBLB-UHFFFAOYSA-N
XLogP1.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 51.64
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

(3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine
CID 145414439
(E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride
CID 145143816
N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride
CID 118086288
5-Chloro-8-methyl-2,3-dihydroquinoline
CID 123472676
1-Chloro-6,7-dihydroisoquinoline
CID 123525909
2-chloro-6-propyl-3H-azepine
CID 123532702
3-Chloro-4-ethylidene-5-methylidenepyridine
CID 123707183
(3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine
CID 123946891
2-chloro-6-ethyl-3H-azepine
CID 123959817
5-ethenyl-N,4-dimethyl-2-methylidenehepta-4,6-dienimidoyl chloride
CID 132223270
(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine
CID 132264479
(3E,4Z)-3,4-di(ethylidene)-5-methylpyridine
CID 141827123

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4-di(ethylidene)-5-methylpyridine?
The IUPAC name of 2-chloro-3,4-di(ethylidene)-5-methylpyridine (CID 91064474) is 2-chloro-3,4-di(ethylidene)-5-methylpyridine.
What is the SMILES notation for 2-chloro-3,4-di(ethylidene)-5-methylpyridine?
The canonical SMILES for 2-chloro-3,4-di(ethylidene)-5-methylpyridine is CC=c1c(C)cnc(Cl)c1=CC.
What is the InChIKey of 2-chloro-3,4-di(ethylidene)-5-methylpyridine?
The InChIKey is KADCFMZSLCSBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-4-8-7(3)6-12-10(11)9(8)5-2/h4-6H,1-3H3.
What are the key properties of 2-chloro-3,4-di(ethylidene)-5-methylpyridine?
2-chloro-3,4-di(ethylidene)-5-methylpyridine has a molecular weight of 181.67 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4-di(ethylidene)-5-methylpyridine is sourced from PubChem (CID 91064474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).