3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine

C7H4Cl3F2N — CID 130099341

IUPAC3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
SMILESFC(F)c1nc(Cl)cc(CCl)c1Cl
InChIInChI=1S/C7H4Cl3F2N/c8-2-3-1-4(9)13-6(5(3)10)7(11)12/h1,7H,2H2
InChIKeyJXPHWTDJZDXPMT-UHFFFAOYSA-N
MW246.47 g/mol
LogP4.06
Rot. Bonds2

About 3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine

3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine (PubChem CID 130099341) has the molecular formula C7H4Cl3F2N and a molecular weight of 246.47 g/mol. Its IUPAC name is 3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine.

Molecular Properties

Compound Name3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
PubChem CID130099341
Molecular FormulaC7H4Cl3F2N
Molecular Weight246.47 g/mol
Exact Mass244.94
IUPAC Name3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
SMILESFC(F)c1nc(Cl)cc(CCl)c1Cl
InChIInChI=1S/C7H4Cl3F2N/c8-2-3-1-4(9)13-6(5(3)10)7(11)12/h1,7H,2H2
InChIKeyJXPHWTDJZDXPMT-UHFFFAOYSA-N
XLogP4.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075642
[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130075594
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine
CID 130102649
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685610
4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130073150
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073205
3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130095522
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 119019383
2-bromo-3-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine
CID 118995980
6-bromo-4-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
CID 130108046
4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 130080071

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine?
The IUPAC name of 3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine (CID 130099341) is 3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine.
What is the SMILES notation for 3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine?
The canonical SMILES for 3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine is FC(F)c1nc(Cl)cc(CCl)c1Cl.
What is the InChIKey of 3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine?
The InChIKey is JXPHWTDJZDXPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl3F2N/c8-2-3-1-4(9)13-6(5(3)10)7(11)12/h1,7H,2H2.
What are the key properties of 3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine?
3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine has a molecular weight of 246.47 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine is sourced from PubChem (CID 130099341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).