5-(fluoromethyl)-2-(trifluoromethyl)pyridine

C7H5F4N — CID 177038549

IUPAC5-(fluoromethyl)-2-(trifluoromethyl)pyridine
SMILESFCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H5F4N/c8-3-5-1-2-6(12-4-5)7(9,10)11/h1-2,4H,3H2
InChIKeyPBCDSAJMWGOBQE-UHFFFAOYSA-N
MW179.12 g/mol
LogP2.57
Rot. Bonds1

About 5-(fluoromethyl)-2-(trifluoromethyl)pyridine

5-(fluoromethyl)-2-(trifluoromethyl)pyridine (PubChem CID 177038549) has the molecular formula C7H5F4N and a molecular weight of 179.12 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(fluoromethyl)-2-(trifluoromethyl)pyridine
PubChem CID177038549
Molecular FormulaC7H5F4N
Molecular Weight179.12 g/mol
Exact Mass179.04
IUPAC Name5-(fluoromethyl)-2-(trifluoromethyl)pyridine
SMILESFCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H5F4N/c8-3-5-1-2-6(12-4-5)7(9,10)11/h1-2,4H,3H2
InChIKeyPBCDSAJMWGOBQE-UHFFFAOYSA-N
XLogP2.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.12
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
5-(3-iodopropyl)-2-(trifluoromethyl)pyridine
CID 54758386
5-(2-bromopropyl)-2-(trifluoromethyl)pyridine
CID 68969258
1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 175089211
[6-(trifluoromethyl)-3-pyridinyl]methylsulfanylmethanediamine
CID 162587407
2,2-difluoro-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 162738078
[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine
CID 176908126
1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
CID 169111944
5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141098456
(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 122703513
5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine
CID 59391394

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(fluoromethyl)-2-(trifluoromethyl)pyridine (CID 177038549) is 5-(fluoromethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(fluoromethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(fluoromethyl)-2-(trifluoromethyl)pyridine is FCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-(fluoromethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is PBCDSAJMWGOBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4N/c8-3-5-1-2-6(12-4-5)7(9,10)11/h1-2,4H,3H2.
What are the key properties of 5-(fluoromethyl)-2-(trifluoromethyl)pyridine?
5-(fluoromethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 179.12 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 177038549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).