2-methylpyridine;2,2,2-trifluoroacetic acid

C8H8F3NO2 — CID 22066303

IUPAC2-methylpyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H7N.C2HF3O2/c1-6-4-2-3-5-7-6;3-2(4,5)1(6)7/h2-5H,1H3;(H,6,7)
InChIKeyLVKBHPIMBDSSNX-UHFFFAOYSA-N
MW207.15 g/mol
LogP2.02
Rot. Bonds

About 2-methylpyridine;2,2,2-trifluoroacetic acid

2-methylpyridine;2,2,2-trifluoroacetic acid (PubChem CID 22066303) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-methylpyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methylpyridine;2,2,2-trifluoroacetic acid
PubChem CID22066303
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name2-methylpyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H7N.C2HF3O2/c1-6-4-2-3-5-7-6;3-2(4,5)1(6)7/h2-5H,1H3;(H,6,7)
InChIKeyLVKBHPIMBDSSNX-UHFFFAOYSA-N
XLogP2.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methanol;toluene;2,2,2-trifluoroacetic acid
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2-methylpyridine;pyridine
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N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
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ethane;2-methylpyridine;toluene
CID 143164268
2-methylpyridine;nitric acid
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magnesium;hydride;2-methylpyridine;hydroiodide
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CID 158925789
CID 158925789
dichloroplatinum;bis(2-methylpyridine)
CID 4034453
2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
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2-cyclopropylacetic acid;ethane;2-methylpyridine
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Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methylpyridine;2,2,2-trifluoroacetic acid (CID 22066303) is 2-methylpyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methylpyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methylpyridine;2,2,2-trifluoroacetic acid is Cc1ccccn1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methylpyridine;2,2,2-trifluoroacetic acid?
The InChIKey is LVKBHPIMBDSSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C2HF3O2/c1-6-4-2-3-5-7-6;3-2(4,5)1(6)7/h2-5H,1H3;(H,6,7).
What are the key properties of 2-methylpyridine;2,2,2-trifluoroacetic acid?
2-methylpyridine;2,2,2-trifluoroacetic acid has a molecular weight of 207.15 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22066303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).