4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine

C7H4Cl3F2N — CID 130099347

IUPAC4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine
SMILESFC(F)c1ncc(Cl)c(Cl)c1CCl
InChIInChI=1S/C7H4Cl3F2N/c8-1-3-5(10)4(9)2-13-6(3)7(11)12/h2,7H,1H2
InChIKeyQBOLDJOYNKCKKB-UHFFFAOYSA-N
MW246.47 g/mol
LogP4.06
Rot. Bonds2

About 4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine

4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine (PubChem CID 130099347) has the molecular formula C7H4Cl3F2N and a molecular weight of 246.47 g/mol. Its IUPAC name is 4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine.

Molecular Properties

Compound Name4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine
PubChem CID130099347
Molecular FormulaC7H4Cl3F2N
Molecular Weight246.47 g/mol
Exact Mass244.94
IUPAC Name4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine
SMILESFC(F)c1ncc(Cl)c(Cl)c1CCl
InChIInChI=1S/C7H4Cl3F2N/c8-1-3-5(10)4(9)2-13-6(3)7(11)12/h2,7H,1H2
InChIKeyQBOLDJOYNKCKKB-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130108110
[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 130082230
3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine
CID 130106398
3,5-dichloro-2-(difluoromethyl)-4-methylpyridine
CID 130099262
3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073182
5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130071262
3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071103
4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130099468
4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol
CID 130082698
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383
2-[3-(chloromethyl)-2-(difluoromethyl)-5-fluoro-4-pyridinyl]acetic acid
CID 130082407
3-(bromomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075274

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine?
The IUPAC name of 4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine (CID 130099347) is 4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine.
What is the SMILES notation for 4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine?
The canonical SMILES for 4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine is FC(F)c1ncc(Cl)c(Cl)c1CCl.
What is the InChIKey of 4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine?
The InChIKey is QBOLDJOYNKCKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl3F2N/c8-1-3-5(10)4(9)2-13-6(3)7(11)12/h2,7H,1H2.
What are the key properties of 4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine?
4,5-dichloro-3-(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 4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine is sourced from PubChem (CID 130099347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).