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

C7H4Cl2F3N — CID 130071789

IUPAC3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine
SMILESFc1cc(C(F)F)c(Cl)c(CCl)n1
InChIInChI=1S/C7H4Cl2F3N/c8-2-4-6(9)3(7(11)12)1-5(10)13-4/h1,7H,2H2
InChIKeyKXYCJQIFRCGBCC-UHFFFAOYSA-N
MW230.02 g/mol
LogP3.55
Rot. Bonds2

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

3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine (PubChem CID 130071789) has the molecular formula C7H4Cl2F3N and a molecular weight of 230.02 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine
PubChem CID130071789
Molecular FormulaC7H4Cl2F3N
Molecular Weight230.02 g/mol
Exact Mass228.97
IUPAC Name3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine
SMILESFc1cc(C(F)F)c(Cl)c(CCl)n1
InChIInChI=1S/C7H4Cl2F3N/c8-2-4-6(9)3(7(11)12)1-5(10)13-4/h1,7H,2H2
InChIKeyKXYCJQIFRCGBCC-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

2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118804299
methyl 2-[3-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685443
2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine
CID 119019350
2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine
CID 118855086
3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070896
ethyl 2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 133104291
3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine
CID 130099205
3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine
CID 134659593
2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130076123
2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119021941
2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 118855239
6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 130104065

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine (CID 130071789) is 3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine is Fc1cc(C(F)F)c(Cl)c(CCl)n1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine?
The InChIKey is KXYCJQIFRCGBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F3N/c8-2-4-6(9)3(7(11)12)1-5(10)13-4/h1,7H,2H2.
What are the key properties of 3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine?
3-chloro-2-(chloromethyl)-4-(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 3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine is sourced from PubChem (CID 130071789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).