3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine

C9H9BrF3N — CID 161297792

IUPAC3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
SMILESC=C1C(Br)=CC(C)=CN1CC(F)(F)F
InChIInChI=1S/C9H9BrF3N/c1-6-3-8(10)7(2)14(4-6)5-9(11,12)13/h3-4H,2,5H2,1H3
InChIKeySBMIPZDLWWRKPZ-UHFFFAOYSA-N
MW268.08 g/mol
LogP3.56
Rot. Bonds1

About 3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine

3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine (PubChem CID 161297792) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
PubChem CID161297792
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC Name3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
SMILESC=C1C(Br)=CC(C)=CN1CC(F)(F)F
InChIInChI=1S/C9H9BrF3N/c1-6-3-8(10)7(2)14(4-6)5-9(11,12)13/h3-4H,2,5H2,1H3
InChIKeySBMIPZDLWWRKPZ-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine
CID 123486641
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine
CID 135136524
1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
CID 138509575
3-bromo-1-methyl-5-(trifluoromethyl)-2H-pyridine
CID 141286895
1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine
CID 145272392
4-(Difluoromethyl)-1,5-dimethyl-2-methylidenepyridine
CID 145359778
2-fluoro-1,4,6-trimethyl-2H-pyridine
CID 150620231
1-(difluoromethyl)-4,6-dimethyl-2H-pyridine
CID 153556906

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine?
The IUPAC name of 3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine (CID 161297792) is 3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine.
What is the SMILES notation for 3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine?
The canonical SMILES for 3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine is C=C1C(Br)=CC(C)=CN1CC(F)(F)F.
What is the InChIKey of 3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine?
The InChIKey is SBMIPZDLWWRKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c1-6-3-8(10)7(2)14(4-6)5-9(11,12)13/h3-4H,2,5H2,1H3.
What are the key properties of 3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine?
3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine has a molecular weight of 268.08 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine is sourced from PubChem (CID 161297792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).