2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine

C7H5Cl2F2N — CID 119019335

IUPAC2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine
SMILESFC(F)c1cc(Cl)ncc1CCl
InChIInChI=1S/C7H5Cl2F2N/c8-2-4-3-12-6(9)1-5(4)7(10)11/h1,3,7H,2H2
InChIKeyKYQMNVRPQLZETG-UHFFFAOYSA-N
MW212.03 g/mol
LogP3.41
Rot. Bonds2

About 2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine

2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine (PubChem CID 119019335) has the molecular formula C7H5Cl2F2N and a molecular weight of 212.03 g/mol. Its IUPAC name is 2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine
PubChem CID119019335
Molecular FormulaC7H5Cl2F2N
Molecular Weight212.03 g/mol
Exact Mass210.98
IUPAC Name2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine
SMILESFC(F)c1cc(Cl)ncc1CCl
InChIInChI=1S/C7H5Cl2F2N/c8-2-4-3-12-6(9)1-5(4)7(10)11/h1,3,7H,2H2
InChIKeyKYQMNVRPQLZETG-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 53.41
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-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095491
[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098363
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine
CID 130097396
5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098388
methyl 2-[6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088361
4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
CID 130096360
3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
CID 130073184
4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134683659
2-bromo-6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119001903
4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
CID 130071815
3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073182
3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099341

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine?
The IUPAC name of 2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine (CID 119019335) is 2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine?
The canonical SMILES for 2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine is FC(F)c1cc(Cl)ncc1CCl.
What is the InChIKey of 2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine?
The InChIKey is KYQMNVRPQLZETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2N/c8-2-4-3-12-6(9)1-5(4)7(10)11/h1,3,7H,2H2.
What are the key properties of 2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine?
2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine has a molecular weight of 212.03 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine is sourced from PubChem (CID 119019335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).