5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid

C8H6F3NO2 — CID 142789603

IUPAC5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)CF)cn1
InChIInChI=1S/C8H6F3NO2/c9-4-8(10,11)5-1-2-6(7(13)14)12-3-5/h1-3H,4H2,(H,13,14)
InChIKeyNHOLVBUQCXRLCZ-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.84
Rot. Bonds3

About 5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid

5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid (PubChem CID 142789603) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid
PubChem CID142789603
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)CF)cn1
InChIInChI=1S/C8H6F3NO2/c9-4-8(10,11)5-1-2-6(7(13)14)12-3-5/h1-3H,4H2,(H,13,14)
InChIKeyNHOLVBUQCXRLCZ-UHFFFAOYSA-N
XLogP1.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid
CID 21333395
pyridine-2,5-dicarboxylic acid
CID 158970171
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-2-carboxylic acid
CID 115491188
5-hydroxypyridine-2-carboxylic acid;hydrate
CID 44607741
5-sulfanylpyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155822310
5-(1,1,2,2-tetraphenylethyl)pyridine-2-carboxylic acid
CID 70605570
5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 71150981
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid
CID 171652736
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
N-[(4-hydroxyphenyl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577921
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid (CID 142789603) is 5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(C(F)(F)CF)cn1.
What is the InChIKey of 5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid?
The InChIKey is NHOLVBUQCXRLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-4-8(10,11)5-1-2-6(7(13)14)12-3-5/h1-3H,4H2,(H,13,14).
What are the key properties of 5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid?
5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid has a molecular weight of 205.13 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 142789603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).