3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine

C8H6F5N — CID 130097661

IUPAC3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine
SMILESCc1nccc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6F5N/c1-4-6(7(9)10)5(2-3-14-4)8(11,12)13/h2-3,7H,1H3
InChIKeyUQIFNRJMLIGIFM-UHFFFAOYSA-N
MW211.13 g/mol
LogP3.35
Rot. Bonds1

About 3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine

3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine (PubChem CID 130097661) has the molecular formula C8H6F5N and a molecular weight of 211.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine
PubChem CID130097661
Molecular FormulaC8H6F5N
Molecular Weight211.13 g/mol
Exact Mass211.04
IUPAC Name3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine
SMILESCc1nccc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6F5N/c1-4-6(7(9)10)5(2-3-14-4)8(11,12)13/h2-3,7H,1H3
InChIKeyUQIFNRJMLIGIFM-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine
CID 130086106
3-(difluoromethyl)-4-methoxy-2-methylpyridine
CID 130097309
2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11159730
2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
CID 134674506
2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine
CID 130096758
3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 69024684
2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine
CID 130097652
2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 165153565
1-methyl-8-(trifluoromethyl)isoquinoline
CID 125457545
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
2-[5-(difluoromethyl)-6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029134

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine (CID 130097661) is 3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine is Cc1nccc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine?
The InChIKey is UQIFNRJMLIGIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5N/c1-4-6(7(9)10)5(2-3-14-4)8(11,12)13/h2-3,7H,1H3.
What are the key properties of 3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine?
3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine has a molecular weight of 211.13 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 130097661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).