1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine

C9H10F3N — CID 158142945

IUPAC1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine
SMILESC=C1C(C(F)(F)F)=CC(C)=CN1C
InChIInChI=1S/C9H10F3N/c1-6-4-8(9(10,11)12)7(2)13(3)5-6/h4-5H,2H2,1,3H3
InChIKeyHAGOLJCCSFTQLN-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.84
Rot. Bonds

About 1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine

1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine (PubChem CID 158142945) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine
PubChem CID158142945
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine
SMILESC=C1C(C(F)(F)F)=CC(C)=CN1C
InChIInChI=1S/C9H10F3N/c1-6-4-8(9(10,11)12)7(2)13(3)5-6/h4-5H,2H2,1,3H3
InChIKeyHAGOLJCCSFTQLN-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 57534410
2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
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9-(trifluoromethyl)-4H-quinolizine
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CID 88500987
1-Ethyl-2,4-bis(trifluoromethyl)-1-azacyclohepta-2,4,5-triene
CID 90084212
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
5-Tert-butyl-1-(difluoromethyl)-2-methylidenepyridine
CID 117878183
2-Chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine
CID 118478764
6-(1,1-Difluoroethyl)-3-methyl-1,2-dihydropyridine
CID 122429849
2-Ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium
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2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine?
The IUPAC name of 1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine (CID 158142945) is 1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine?
The canonical SMILES for 1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine is C=C1C(C(F)(F)F)=CC(C)=CN1C.
What is the InChIKey of 1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine?
The InChIKey is HAGOLJCCSFTQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-6-4-8(9(10,11)12)7(2)13(3)5-6/h4-5H,2H2,1,3H3.
What are the key properties of 1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine?
1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine has a molecular weight of 189.18 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 158142945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).