2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid

C15H11N3O4 — CID 59513097

IUPAC2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid
SMILES[C-]#[N+]c1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1
InChIInChI=1S/C15H11N3O4/c1-16-11-4-2-9(3-5-11)10-6-12(19)14(17-7-10)15(22)18-8-13(20)21/h2-7,19H,8H2,(H,18,22)(H,20,21)
InChIKeyWESRXHMJQHLLSE-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.82
Rot. Bonds4

About 2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid

2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid (PubChem CID 59513097) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid
PubChem CID59513097
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid
SMILES[C-]#[N+]c1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1
InChIInChI=1S/C15H11N3O4/c1-16-11-4-2-9(3-5-11)10-6-12(19)14(17-7-10)15(22)18-8-13(20)21/h2-7,19H,8H2,(H,18,22)(H,20,21)
InChIKeyWESRXHMJQHLLSE-UHFFFAOYSA-N
XLogP1.82
TPSA103.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid
CID 24891735
2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid
CID 24891739
2-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]acetic acid
CID 71477196
5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
CID 89301360
CID 145160330
CID 145160330
CID 145160361
CID 145160361
5-(4-fluorophenyl)-3-hydroxy-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 135294730
2-[[5-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 170066341
CID 145160322
CID 145160322
2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid
CID 134526591
2-[(3-hydroxy-5-phenoxypyridine-2-carbonyl)amino]acetic acid
CID 134204800
2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118085737

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid (CID 59513097) is 2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid is [C-]#[N+]c1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1.
What is the InChIKey of 2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is WESRXHMJQHLLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-16-11-4-2-9(3-5-11)10-6-12(19)14(17-7-10)15(22)18-8-13(20)21/h2-7,19H,8H2,(H,18,22)(H,20,21).
What are the key properties of 2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 297.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 59513097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).