3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid

C9H9F3N2O4 — CID 170824577

IUPAC3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid
SMILESNc1ccc(C(O)C(O)C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O4/c10-9(11,12)7-3(1-2-4(13)14-7)5(15)6(16)8(17)18/h1-2,5-6,15-16H,(H2,13,14)(H,17,18)
InChIKeyIGZGIRXXNMWRKZ-UHFFFAOYSA-N
MW266.17 g/mol
LogP0.16
Rot. Bonds3

About 3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid

3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid (PubChem CID 170824577) has the molecular formula C9H9F3N2O4 and a molecular weight of 266.17 g/mol. Its IUPAC name is 3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid
PubChem CID170824577
Molecular FormulaC9H9F3N2O4
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid
SMILESNc1ccc(C(O)C(O)C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O4/c10-9(11,12)7-3(1-2-4(13)14-7)5(15)6(16)8(17)18/h1-2,5-6,15-16H,(H2,13,14)(H,17,18)
InChIKeyIGZGIRXXNMWRKZ-UHFFFAOYSA-N
XLogP0.16
TPSA116.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid 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

ethyl 4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-3,4-dihydroxybutanoate
CID 171898002
[6-amino-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118704007
2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 170824360
5-(methyldisulfanyl)-6-(trifluoromethyl)pyridin-2-amine
CID 146482881
3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid
CID 170823402
2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid
CID 170824081
3-[2-(aminomethyl)-4-fluorophenyl]-2,3-dihydroxypropanoic acid
CID 170823976
4-(2-carboxy-1,2-dihydroxyethyl)-3-chlorobenzoic acid
CID 170824222
2-amino-2-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]acetic acid;hydrochloride
CID 155905768
2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
CID 118830529
3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid
CID 170823653
5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid
CID 170824492

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid (CID 170824577) is 3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid is Nc1ccc(C(O)C(O)C(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid?
The InChIKey is IGZGIRXXNMWRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O4/c10-9(11,12)7-3(1-2-4(13)14-7)5(15)6(16)8(17)18/h1-2,5-6,15-16H,(H2,13,14)(H,17,18).
What are the key properties of 3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid?
3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid has a molecular weight of 266.17 g/mol, XLogP of 0.16, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170824577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).