3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine

C8H5ClF5N — CID 134674506

IUPAC3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
SMILESCc1ncc(C(F)(F)F)c(C(F)F)c1Cl
InChIInChI=1S/C8H5ClF5N/c1-3-6(9)5(7(10)11)4(2-15-3)8(12,13)14/h2,7H,1H3
InChIKeyQDBDLPVXHSKSLX-UHFFFAOYSA-N
MW245.58 g/mol
LogP4.00
Rot. Bonds1

About 3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine

3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine (PubChem CID 134674506) has the molecular formula C8H5ClF5N and a molecular weight of 245.58 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
PubChem CID134674506
Molecular FormulaC8H5ClF5N
Molecular Weight245.58 g/mol
Exact Mass245.00
IUPAC Name3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
SMILESCc1ncc(C(F)(F)F)c(C(F)F)c1Cl
InChIInChI=1S/C8H5ClF5N/c1-3-6(9)5(7(10)11)4(2-15-3)8(12,13)14/h2,7H,1H3
InChIKeyQDBDLPVXHSKSLX-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.58
LogP ≤ 54.00
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-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine (CID 134674506) is 3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine is Cc1ncc(C(F)(F)F)c(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is QDBDLPVXHSKSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF5N/c1-3-6(9)5(7(10)11)4(2-15-3)8(12,13)14/h2,7H,1H3.
What are the key properties of 3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine?
3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 245.58 g/mol, XLogP of 4.00, 1 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-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 134674506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).