(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid

C9H8F3NO3 — CID 122703513

IUPAC(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
SMILESO=C(O)[C@H](O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)7-2-1-5(4-13-7)3-6(14)8(15)16/h1-2,4,6,14H,3H2,(H,15,16)/t6-/m1/s1
InChIKeyRDWBBMYZQBTFMN-ZCFIWIBFSA-N
MW235.16 g/mol
LogP1.09
Rot. Bonds3

About (2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid

(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid (PubChem CID 122703513) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
PubChem CID122703513
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
SMILESO=C(O)[C@H](O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)7-2-1-5(4-13-7)3-6(14)8(15)16/h1-2,4,6,14H,3H2,(H,15,16)/t6-/m1/s1
InChIKeyRDWBBMYZQBTFMN-ZCFIWIBFSA-N
XLogP1.09
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride
CID 137361047
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
2,2-difluoro-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 162738078
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid
CID 107840757
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571
5-(2-bromopropyl)-2-(trifluoromethyl)pyridine
CID 68969258
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549
2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 170824360
17-oxo-18-[6-(trifluoromethyl)-3-pyridinyl]octadecanoic acid
CID 158712353
(2R)-2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride
CID 159283356
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 170882018
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
The IUPAC name of (2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid (CID 122703513) is (2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
The canonical SMILES for (2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid is O=C(O)[C@H](O)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of (2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
The InChIKey is RDWBBMYZQBTFMN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H8F3NO3/c10-9(11,12)7-2-1-5(4-13-7)3-6(14)8(15)16/h1-2,4,6,14H,3H2,(H,15,16)/t6-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid has a molecular weight of 235.16 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 122703513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).