2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid

C15H13FN2O4 — CID 162731764

IUPAC2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cccc(F)c2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C15H13FN2O4/c1-8-11(9-3-2-4-10(16)5-9)6-17-13(14(8)21)15(22)18-7-12(19)20/h2-6,21H,7H2,1H3,(H,18,22)(H,19,20)
InChIKeyQPACVKJGLSGMIM-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.72
Rot. Bonds4

About 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid

2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid (PubChem CID 162731764) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid
PubChem CID162731764
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cccc(F)c2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C15H13FN2O4/c1-8-11(9-3-2-4-10(16)5-9)6-17-13(14(8)21)15(22)18-7-12(19)20/h2-6,21H,7H2,1H3,(H,18,22)(H,19,20)
InChIKeyQPACVKJGLSGMIM-UHFFFAOYSA-N
XLogP1.72
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid (CID 162731764) is 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid is Cc1c(-c2cccc(F)c2)cnc(C(=O)NCC(=O)O)c1O.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid?
The InChIKey is QPACVKJGLSGMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-8-11(9-3-2-4-10(16)5-9)6-17-13(14(8)21)15(22)18-7-12(19)20/h2-6,21H,7H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid?
2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid has a molecular weight of 304.28 g/mol, XLogP of 1.72, 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-4-methylpyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 162731764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).