6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine

C9H13F2N — CID 130243331

IUPAC6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine
SMILESCC1C=CC=C(C(C)(F)F)N1C
InChIInChI=1S/C9H13F2N/c1-7-5-4-6-8(12(7)3)9(2,10)11/h4-7H,1-3H3
InChIKeyLAHLHTMLPNLSCN-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.42
Rot. Bonds1

About 6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine

6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine (PubChem CID 130243331) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine
PubChem CID130243331
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine
SMILESCC1C=CC=C(C(C)(F)F)N1C
InChIInChI=1S/C9H13F2N/c1-7-5-4-6-8(12(7)3)9(2,10)11/h4-7H,1-3H3
InChIKeyLAHLHTMLPNLSCN-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine?
The IUPAC name of 6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine (CID 130243331) is 6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine.
What is the SMILES notation for 6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine?
The canonical SMILES for 6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine is CC1C=CC=C(C(C)(F)F)N1C.
What is the InChIKey of 6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine?
The InChIKey is LAHLHTMLPNLSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N/c1-7-5-4-6-8(12(7)3)9(2,10)11/h4-7H,1-3H3.
What are the key properties of 6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine?
6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine has a molecular weight of 173.21 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine is sourced from PubChem (CID 130243331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).