1-(2,2-difluoroethyl)-5-methyl-2H-pyridine

C8H11F2N — CID 130252923

IUPAC1-(2,2-difluoroethyl)-5-methyl-2H-pyridine
SMILESCC1=CN(CC(F)F)CC=C1
InChIInChI=1S/C8H11F2N/c1-7-3-2-4-11(5-7)6-8(9)10/h2-3,5,8H,4,6H2,1H3
InChIKeyMEJNMARJEBYADP-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.03
Rot. Bonds2

About 1-(2,2-difluoroethyl)-5-methyl-2H-pyridine

1-(2,2-difluoroethyl)-5-methyl-2H-pyridine (PubChem CID 130252923) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-methyl-2H-pyridine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-methyl-2H-pyridine
PubChem CID130252923
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name1-(2,2-difluoroethyl)-5-methyl-2H-pyridine
SMILESCC1=CN(CC(F)F)CC=C1
InChIInChI=1S/C8H11F2N/c1-7-3-2-4-11(5-7)6-8(9)10/h2-3,5,8H,4,6H2,1H3
InChIKeyMEJNMARJEBYADP-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

5-ethyl-1-methyl-2H-pyridine
CID 12506167
2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
9-(trifluoromethyl)-4H-quinolizine
CID 88314887
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
2-Chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine
CID 118478764
2-Chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine
CID 118478765
1-methyl-4-(trifluoromethyl)-2H-pyridine
CID 121391423
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
1,1,3-trimethyl-5-(trifluoromethyl)-2H-pyridin-1-ium
CID 123991187
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-methyl-2H-pyridine?
The IUPAC name of 1-(2,2-difluoroethyl)-5-methyl-2H-pyridine (CID 130252923) is 1-(2,2-difluoroethyl)-5-methyl-2H-pyridine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-methyl-2H-pyridine?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-methyl-2H-pyridine is CC1=CN(CC(F)F)CC=C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-methyl-2H-pyridine?
The InChIKey is MEJNMARJEBYADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-7-3-2-4-11(5-7)6-8(9)10/h2-3,5,8H,4,6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-methyl-2H-pyridine?
1-(2,2-difluoroethyl)-5-methyl-2H-pyridine has a molecular weight of 159.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-methyl-2H-pyridine is sourced from PubChem (CID 130252923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).