2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine

C7H4Cl2F3N — CID 119024121

IUPAC2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
SMILESFc1cc(CCl)c(C(F)F)c(Cl)n1
InChIInChI=1S/C7H4Cl2F3N/c8-2-3-1-4(10)13-6(9)5(3)7(11)12/h1,7H,2H2
InChIKeyYNLZKZSRHRTMNA-UHFFFAOYSA-N
MW230.02 g/mol
LogP3.55
Rot. Bonds2

About 2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine

2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine (PubChem CID 119024121) has the molecular formula C7H4Cl2F3N and a molecular weight of 230.02 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
PubChem CID119024121
Molecular FormulaC7H4Cl2F3N
Molecular Weight230.02 g/mol
Exact Mass228.97
IUPAC Name2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
SMILESFc1cc(CCl)c(C(F)F)c(Cl)n1
InChIInChI=1S/C7H4Cl2F3N/c8-2-3-1-4(10)13-6(9)5(3)7(11)12/h1,7H,2H2
InChIKeyYNLZKZSRHRTMNA-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine
CID 130071761
4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine
CID 119024454
2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
CID 130102739
3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
CID 130108097
2-chloro-3-(difluoromethyl)-6-fluoropyridine-4-carboxylic acid
CID 119004038
4-chloro-3-(difluoromethyl)-6-fluoropyridin-2-amine
CID 119006404
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082138
[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
CID 130074108
2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine
CID 118855086
2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130072471
4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
CID 130096360
2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine
CID 130069219

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine?
The IUPAC name of 2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine (CID 119024121) is 2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine?
The canonical SMILES for 2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine is Fc1cc(CCl)c(C(F)F)c(Cl)n1.
What is the InChIKey of 2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine?
The InChIKey is YNLZKZSRHRTMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F3N/c8-2-3-1-4(10)13-6(9)5(3)7(11)12/h1,7H,2H2.
What are the key properties of 2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine?
2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-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 2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine is sourced from PubChem (CID 119024121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).