2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride

C8H7ClF4N2O2 — CID 155905768

IUPAC2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccnc(C(F)(F)F)c1F
InChIInChI=1S/C8H6F4N2O2.ClH/c9-4-3(5(13)7(15)16)1-2-14-6(4)8(10,11)12;/h1-2,5H,13H2,(H,15,16);1H
InChIKeyGGCSBGZTHYOCIO-UHFFFAOYSA-N
MW274.60 g/mol
LogP1.75
Rot. Bonds2

About 2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride

2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride (PubChem CID 155905768) has the molecular formula C8H7ClF4N2O2 and a molecular weight of 274.60 g/mol. Its IUPAC name is 2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride
PubChem CID155905768
Molecular FormulaC8H7ClF4N2O2
Molecular Weight274.60 g/mol
Exact Mass274.01
IUPAC Name2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccnc(C(F)(F)F)c1F
InChIInChI=1S/C8H6F4N2O2.ClH/c9-4-3(5(13)7(15)16)1-2-14-6(4)8(10,11)12;/h1-2,5H,13H2,(H,15,16);1H
InChIKeyGGCSBGZTHYOCIO-UHFFFAOYSA-N
XLogP1.75
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.60
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
2-amino-2-(3-amino-4-pyridinyl)acetic acid
CID 55292640
2-amino-2-[2,4-difluoro-3-(trifluoromethoxy)phenyl]acetic acid
CID 172569464
1-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]propan-1-one
CID 161227421
1-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-2-methylbutan-1-one
CID 142587135
3-hydroxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 15105945
2-amino-2-(3-hydroxy-4-pyridinyl)acetic acid
CID 55293514
2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82392538
2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid
CID 117364578
3-[amino(carboxy)methyl]pyridine-2-carboxylic acid
CID 55269011
(2R)-2-amino-2-quinolin-5-ylacetic acid
CID 39733719
3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 90460143

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride?
The IUPAC name of 2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride (CID 155905768) is 2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride is Cl.NC(C(=O)O)c1ccnc(C(F)(F)F)c1F.
What is the InChIKey of 2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride?
The InChIKey is GGCSBGZTHYOCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O2.ClH/c9-4-3(5(13)7(15)16)1-2-14-6(4)8(10,11)12;/h1-2,5H,13H2,(H,15,16);1H.
What are the key properties of 2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride?
2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride has a molecular weight of 274.60 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride is sourced from PubChem (CID 155905768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).