2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride

C9H10ClF3N2O2 — CID 137361047

IUPAC2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccc(C(F)(F)F)nc1)C(=O)O
InChIInChI=1S/C9H9F3N2O2.ClH/c10-9(11,12)7-2-1-5(4-14-7)3-6(13)8(15)16;/h1-2,4,6H,3,13H2,(H,15,16);1H
InChIKeyXJDJSCXQXFBQQL-UHFFFAOYSA-N
MW270.64 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride

2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride (PubChem CID 137361047) has the molecular formula C9H10ClF3N2O2 and a molecular weight of 270.64 g/mol. Its IUPAC name is 2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride
PubChem CID137361047
Molecular FormulaC9H10ClF3N2O2
Molecular Weight270.64 g/mol
Exact Mass270.04
IUPAC Name2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccc(C(F)(F)F)nc1)C(=O)O
InChIInChI=1S/C9H9F3N2O2.ClH/c10-9(11,12)7-2-1-5(4-14-7)3-6(13)8(15)16;/h1-2,4,6H,3,13H2,(H,15,16);1H
InChIKeyXJDJSCXQXFBQQL-UHFFFAOYSA-N
XLogP1.48
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 122703513
(2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid
CID 10330017
2-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55295343
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
(2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid
CID 170110433
2,2-difluoro-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 162738078
5-(2-bromopropyl)-2-(trifluoromethyl)pyridine
CID 68969258
[6-(trifluoromethyl)-3-pyridinyl]methylsulfanylmethanediamine
CID 162587407
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
L-Tyrosine (disodium)
CID 66602062
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride (CID 137361047) is 2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride is Cl.NC(Cc1ccc(C(F)(F)F)nc1)C(=O)O.
What is the InChIKey of 2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride?
The InChIKey is XJDJSCXQXFBQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2.ClH/c10-9(11,12)7-2-1-5(4-14-7)3-6(13)8(15)16;/h1-2,4,6H,3,13H2,(H,15,16);1H.
What are the key properties of 2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride?
2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride has a molecular weight of 270.64 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride is sourced from PubChem (CID 137361047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).