2-(difluoromethyl)-3,6-dimethylpyridine

C8H9F2N — CID 121232017

IUPAC2-(difluoromethyl)-3,6-dimethylpyridine
SMILESCc1ccc(C)c(C(F)F)n1
InChIInChI=1S/C8H9F2N/c1-5-3-4-6(2)11-7(5)8(9)10/h3-4,8H,1-2H3
InChIKeyTXYSITBELPOFLC-UHFFFAOYSA-N
MW157.16 g/mol
LogP2.64
Rot. Bonds1

About 2-(difluoromethyl)-3,6-dimethylpyridine

2-(difluoromethyl)-3,6-dimethylpyridine (PubChem CID 121232017) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-3,6-dimethylpyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3,6-dimethylpyridine
PubChem CID121232017
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC Name2-(difluoromethyl)-3,6-dimethylpyridine
SMILESCc1ccc(C)c(C(F)F)n1
InChIInChI=1S/C8H9F2N/c1-5-3-4-6(2)11-7(5)8(9)10/h3-4,8H,1-2H3
InChIKeyTXYSITBELPOFLC-UHFFFAOYSA-N
XLogP2.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3,6-dimethylpyridine?
The IUPAC name of 2-(difluoromethyl)-3,6-dimethylpyridine (CID 121232017) is 2-(difluoromethyl)-3,6-dimethylpyridine.
What is the SMILES notation for 2-(difluoromethyl)-3,6-dimethylpyridine?
The canonical SMILES for 2-(difluoromethyl)-3,6-dimethylpyridine is Cc1ccc(C)c(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-3,6-dimethylpyridine?
The InChIKey is TXYSITBELPOFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N/c1-5-3-4-6(2)11-7(5)8(9)10/h3-4,8H,1-2H3.
What are the key properties of 2-(difluoromethyl)-3,6-dimethylpyridine?
2-(difluoromethyl)-3,6-dimethylpyridine has a molecular weight of 157.16 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3,6-dimethylpyridine is sourced from PubChem (CID 121232017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).