3-(difluoromethyl)-1,6-dimethyl-2H-pyridine

C8H11F2N — CID 145272368

IUPAC3-(difluoromethyl)-1,6-dimethyl-2H-pyridine
SMILESCC1=CC=C(C(F)F)CN1C
InChIInChI=1S/C8H11F2N/c1-6-3-4-7(8(9)10)5-11(6)2/h3-4,8H,5H2,1-2H3
InChIKeyDWOBNRAMYJGLFB-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.03
Rot. Bonds1

About 3-(difluoromethyl)-1,6-dimethyl-2H-pyridine

3-(difluoromethyl)-1,6-dimethyl-2H-pyridine (PubChem CID 145272368) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,6-dimethyl-2H-pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-1,6-dimethyl-2H-pyridine
PubChem CID145272368
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-(difluoromethyl)-1,6-dimethyl-2H-pyridine
SMILESCC1=CC=C(C(F)F)CN1C
InChIInChI=1S/C8H11F2N/c1-6-3-4-7(8(9)10)5-11(6)2/h3-4,8H,5H2,1-2H3
InChIKeyDWOBNRAMYJGLFB-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,6-dimethyl-2H-pyridine?
The IUPAC name of 3-(difluoromethyl)-1,6-dimethyl-2H-pyridine (CID 145272368) is 3-(difluoromethyl)-1,6-dimethyl-2H-pyridine.
What is the SMILES notation for 3-(difluoromethyl)-1,6-dimethyl-2H-pyridine?
The canonical SMILES for 3-(difluoromethyl)-1,6-dimethyl-2H-pyridine is CC1=CC=C(C(F)F)CN1C.
What is the InChIKey of 3-(difluoromethyl)-1,6-dimethyl-2H-pyridine?
The InChIKey is DWOBNRAMYJGLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-6-3-4-7(8(9)10)5-11(6)2/h3-4,8H,5H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1,6-dimethyl-2H-pyridine?
3-(difluoromethyl)-1,6-dimethyl-2H-pyridine has a molecular weight of 159.18 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,6-dimethyl-2H-pyridine is sourced from PubChem (CID 145272368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).