2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid

C13H11FN2O3 — CID 71086645

IUPAC2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid
SMILESO=C(O)CNc1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C13H11FN2O3/c14-10-3-1-2-8(4-10)9-5-11(17)13(15-6-9)16-7-12(18)19/h1-6,17H,7H2,(H,15,16)(H,18,19)
InChIKeyCLJYRRNVMFJQNQ-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.09
Rot. Bonds4

About 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid

2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid (PubChem CID 71086645) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid
PubChem CID71086645
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid
SMILESO=C(O)CNc1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C13H11FN2O3/c14-10-3-1-2-8(4-10)9-5-11(17)13(15-6-9)16-7-12(18)19/h1-6,17H,7H2,(H,15,16)(H,18,19)
InChIKeyCLJYRRNVMFJQNQ-UHFFFAOYSA-N
XLogP2.09
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-2-methylpropanamide
CID 68660876
2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid
CID 140848116
2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide
CID 68660883
potassium 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 71491831
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118266893
2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid
CID 175594359
5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
CID 145160317
CID 145160317
2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314266
2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid
CID 21004433
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid
CID 71093055
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate;2-hydroxyethylazanium
CID 140602466

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid (CID 71086645) is 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid is O=C(O)CNc1ncc(-c2cccc(F)c2)cc1O.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid?
The InChIKey is CLJYRRNVMFJQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c14-10-3-1-2-8(4-10)9-5-11(17)13(15-6-9)16-7-12(18)19/h1-6,17H,7H2,(H,15,16)(H,18,19).
What are the key properties of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid?
2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid has a molecular weight of 262.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 71086645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).