3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine

C7H4Cl2F3N — CID 130071793

IUPAC3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine
SMILESFc1cc(Cl)c(CCl)nc1C(F)F
InChIInChI=1S/C7H4Cl2F3N/c8-2-5-3(9)1-4(10)6(13-5)7(11)12/h1,7H,2H2
InChIKeyISOGTKIPJYQGSS-UHFFFAOYSA-N
MW230.02 g/mol
LogP3.55
Rot. Bonds2

About 3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine

3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine (PubChem CID 130071793) has the molecular formula C7H4Cl2F3N and a molecular weight of 230.02 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine
PubChem CID130071793
Molecular FormulaC7H4Cl2F3N
Molecular Weight230.02 g/mol
Exact Mass228.97
IUPAC Name3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine
SMILESFc1cc(Cl)c(CCl)nc1C(F)F
InChIInChI=1S/C7H4Cl2F3N/c8-2-5-3(9)1-4(10)6(13-5)7(11)12/h1,7H,2H2
InChIKeyISOGTKIPJYQGSS-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(difluoromethyl)-3-fluoro-6-methylpyridine
CID 130071645
ethyl 2-[3-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 171029636
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 130071737
2-[3-(chloromethyl)-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130082190
5-chloro-2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 134685820
2-bromo-3-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine
CID 119011286
3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 130072000
2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine
CID 119019350
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol
CID 118832807
2-bromo-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 118997697
2,3,5-trichloro-6-(chloromethyl)pyridine
CID 131051937
2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine
CID 118843665

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine (CID 130071793) is 3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine is Fc1cc(Cl)c(CCl)nc1C(F)F.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine?
The InChIKey is ISOGTKIPJYQGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F3N/c8-2-5-3(9)1-4(10)6(13-5)7(11)12/h1,7H,2H2.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine?
3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine has a molecular weight of 230.02 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine is sourced from PubChem (CID 130071793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).