2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine

C7H5ClF3N — CID 130095542

IUPAC2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine
SMILESFCc1cc(C(F)F)cc(Cl)n1
InChIInChI=1S/C7H5ClF3N/c8-6-2-4(7(10)11)1-5(3-9)12-6/h1-2,7H,3H2
InChIKeyXBWJPVBTBHGTTB-UHFFFAOYSA-N
MW195.57 g/mol
LogP3.14
Rot. Bonds2

About 2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine

2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine (PubChem CID 130095542) has the molecular formula C7H5ClF3N and a molecular weight of 195.57 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine
PubChem CID130095542
Molecular FormulaC7H5ClF3N
Molecular Weight195.57 g/mol
Exact Mass195.01
IUPAC Name2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine
SMILESFCc1cc(C(F)F)cc(Cl)n1
InChIInChI=1S/C7H5ClF3N/c8-6-2-4(7(10)11)1-5(3-9)12-6/h1-2,7H,3H2
InChIKeyXBWJPVBTBHGTTB-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.57
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(fluoromethyl)-4-methylpyridine
CID 10261366
[6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine
CID 145391101
2-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118997619
[4-(difluoromethyl)-6-methyl-2-pyridinyl]methanamine
CID 130097545
[6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 118831489
2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118815641
2-chloro-6-[3-(4-chloro-2-nitrophenyl)butyl]-4-(difluoromethyl)pyridine
CID 178088742
4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine
CID 115524761
6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
[4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118820122
2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine
CID 130097632
[(3R)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol
CID 139464568

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine?
The IUPAC name of 2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine (CID 130095542) is 2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine is FCc1cc(C(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine?
The InChIKey is XBWJPVBTBHGTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N/c8-6-2-4(7(10)11)1-5(3-9)12-6/h1-2,7H,3H2.
What are the key properties of 2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine?
2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine has a molecular weight of 195.57 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)-6-(fluoromethyl)pyridine is sourced from PubChem (CID 130095542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).