HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

4-(Dichloromethyl)-3-methylpyridine

HCID 178762589
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
88237-11-0
Standard SMILES
Cc1cnccc1C(Cl)Cl
InChIKey
PFVPGSJCUPNSPO-UHFFFAOYSA-N
Molecular formula
C7H7Cl2N
Average molar mass
176.04 g/mol

Names & identifiers

Preferred name
4-(Dichloromethyl)-3-methylpyridine
IUPAC
4-(dichloromethyl)-3-methylpyridine
English name
Pyridine, 4-(dichloromethyl)-3-methyl- (9CI)
Molecular formula
C7H7Cl2N
Molecular weight
176.04

Names & synonyms

88237-11-0Pyridine, 4-(dichloromethyl)-3-methyl-DB-289395Pyridine, 4-(dichloromethyl)-3-methyl- (9CI)

Database identifiers

CAS
88237-11-0

Properties

Computed structural propertiesFilling in

XLogP
2.3
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
106

Physicochemical properties

Boiling point
77 · 77-79 °C(Press: 4 Torr)
Density
1.268 · 1.268±0.06 g/cm3(Predicted)
pka
3.86 · 3.86±0.36(Predicted)

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes