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

C7H5ClF3N — CID 130095551

IUPAC3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine
SMILESFCc1nccc(C(F)F)c1Cl
InChIInChI=1S/C7H5ClF3N/c8-6-4(7(10)11)1-2-12-5(6)3-9/h1-2,7H,3H2
InChIKeyTXUQFUWTWWREIY-UHFFFAOYSA-N
MW195.57 g/mol
LogP3.14
Rot. Bonds2

About 3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine

3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine (PubChem CID 130095551) has the molecular formula C7H5ClF3N and a molecular weight of 195.57 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine
PubChem CID130095551
Molecular FormulaC7H5ClF3N
Molecular Weight195.57 g/mol
Exact Mass195.01
IUPAC Name3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine
SMILESFCc1nccc(C(F)F)c1Cl
InChIInChI=1S/C7H5ClF3N/c8-6-4(7(10)11)1-2-12-5(6)3-9/h1-2,7H,3H2
InChIKeyTXUQFUWTWWREIY-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine?
The IUPAC name of 3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine (CID 130095551) is 3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine?
The canonical SMILES for 3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine is FCc1nccc(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine?
The InChIKey is TXUQFUWTWWREIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N/c8-6-4(7(10)11)1-2-12-5(6)3-9/h1-2,7H,3H2.
What are the key properties of 3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine?
3-chloro-4-(difluoromethyl)-2-(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 3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine is sourced from PubChem (CID 130095551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).