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

C8H6F5N — CID 130097652

IUPAC2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine
SMILESCc1ccnc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H6F5N/c1-4-2-3-14-6(7(9)10)5(4)8(11,12)13/h2-3,7H,1H3
InChIKeyNYJHJDADBBWVLS-UHFFFAOYSA-N
MW211.13 g/mol
LogP3.35
Rot. Bonds1

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

2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine (PubChem CID 130097652) has the molecular formula C8H6F5N and a molecular weight of 211.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine
PubChem CID130097652
Molecular FormulaC8H6F5N
Molecular Weight211.13 g/mol
Exact Mass211.04
IUPAC Name2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine
SMILESCc1ccnc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H6F5N/c1-4-2-3-14-6(7(9)10)5(4)8(11,12)13/h2-3,7H,1H3
InChIKeyNYJHJDADBBWVLS-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

4-bromo-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118817041
[2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118818433
2-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 118832290
2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine
CID 130096758
[2-(difluoromethyl)-4-methyl-3-pyridinyl]methanamine
CID 130097549
3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine
CID 130097661
3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 69024684
[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118826518
2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine
CID 170194877
ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134673374
ethyl 2-[2-(difluoromethyl)-5-methyl-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029266
6-[[[4-methyl-3-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]pyridine-3-carboxylic acid
CID 123726720

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine (CID 130097652) is 2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine is Cc1ccnc(C(F)F)c1C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine?
The InChIKey is NYJHJDADBBWVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5N/c1-4-2-3-14-6(7(9)10)5(4)8(11,12)13/h2-3,7H,1H3.
What are the key properties of 2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine?
2-(difluoromethyl)-4-methyl-3-(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 2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 130097652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).