2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid

C10H10F3NO2 — CID 129319079

IUPAC2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid
SMILESCC(C)(c1ncccc1C(=O)O)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-9(2,10(11,12)13)7-6(8(15)16)4-3-5-14-7/h3-5H,1-2H3,(H,15,16)
InChIKeyOEJVPHNQJKMBPN-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.62
Rot. Bonds2

About 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid

2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid (PubChem CID 129319079) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid
PubChem CID129319079
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid
SMILESCC(C)(c1ncccc1C(=O)O)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-9(2,10(11,12)13)7-6(8(15)16)4-3-5-14-7/h3-5H,1-2H3,(H,15,16)
InChIKeyOEJVPHNQJKMBPN-UHFFFAOYSA-N
XLogP2.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylpyridine-3-carboxylic acid
CID 20815660
2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid
CID 89358135
[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-pyridinyl]boronic acid
CID 129319081
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid
CID 46398493
2-(2,2-difluoro-2-phenylethyl)sulfanylpyridine-3-carboxylic acid
CID 116788531
2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylpyridine-3-carboxylic acid
CID 165344033
2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]pyridine-3-carboxylic acid
CID 112587932
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid
CID 70182858
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid
CID 51921978

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid (CID 129319079) is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid is CC(C)(c1ncccc1C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid?
The InChIKey is OEJVPHNQJKMBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-9(2,10(11,12)13)7-6(8(15)16)4-3-5-14-7/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid?
2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid has a molecular weight of 233.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 129319079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).