1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine

C8H10F3N — CID 145272392

IUPAC1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine
SMILESCC1=C(C(F)(F)F)C=CCN1C
InChIInChI=1S/C8H10F3N/c1-6-7(8(9,10)11)4-3-5-12(6)2/h3-4H,5H2,1-2H3
InChIKeyCTASJFKCWGWOFR-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.32
Rot. Bonds

About 1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine

1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine (PubChem CID 145272392) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine
PubChem CID145272392
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine
SMILESCC1=C(C(F)(F)F)C=CCN1C
InChIInChI=1S/C8H10F3N/c1-6-7(8(9,10)11)4-3-5-12(6)2/h3-4H,5H2,1-2H3
InChIKeyCTASJFKCWGWOFR-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 57534395
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CID 57534410
2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
1-fluoro-4,5,6-trimethyl-2H-pyridine
CID 87450917
9-(trifluoromethyl)-4H-quinolizine
CID 88314887
1-(fluoromethyl)-4H-quinolizine
CID 88500989
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
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
2-Chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine
CID 118478765

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine (CID 145272392) is 1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine is CC1=C(C(F)(F)F)C=CCN1C.
What is the InChIKey of 1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine?
The InChIKey is CTASJFKCWGWOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-6-7(8(9,10)11)4-3-5-12(6)2/h3-4H,5H2,1-2H3.
What are the key properties of 1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine?
1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine has a molecular weight of 177.17 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 145272392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).