2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide

C14H10FIN2O3 — CID 118266893

IUPAC2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
SMILESO=C(I)CNC(=O)c1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C14H10FIN2O3/c15-10-3-1-2-8(4-10)9-5-11(19)13(17-6-9)14(21)18-7-12(16)20/h1-6,19H,7H2,(H,18,21)
InChIKeyKPPDPZQMLDUEOI-UHFFFAOYSA-N
MW400.15 g/mol
LogP2.28
Rot. Bonds4

About 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide

2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide (PubChem CID 118266893) has the molecular formula C14H10FIN2O3 and a molecular weight of 400.15 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
PubChem CID118266893
Molecular FormulaC14H10FIN2O3
Molecular Weight400.15 g/mol
Exact Mass399.97
IUPAC Name2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
SMILESO=C(I)CNC(=O)c1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C14H10FIN2O3/c15-10-3-1-2-8(4-10)9-5-11(19)13(17-6-9)14(21)18-7-12(16)20/h1-6,19H,7H2,(H,18,21)
InChIKeyKPPDPZQMLDUEOI-UHFFFAOYSA-N
XLogP2.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.15
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

potassium 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 71491831
2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118085737
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate;2-hydroxyethylazanium
CID 140602466
CID 145160317
CID 145160317
5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid
CID 71093055
2-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 170066297
2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid
CID 140848116
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
CID 158403612
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
CID 160943915
5-(4-fluorophenyl)-3-hydroxy-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 135294730
N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate
CID 172856144

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide?
The IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide (CID 118266893) is 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide is O=C(I)CNC(=O)c1ncc(-c2cccc(F)c2)cc1O.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide?
The InChIKey is KPPDPZQMLDUEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIN2O3/c15-10-3-1-2-8(4-10)9-5-11(19)13(17-6-9)14(21)18-7-12(16)20/h1-6,19H,7H2,(H,18,21).
What are the key properties of 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide?
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide has a molecular weight of 400.15 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide is sourced from PubChem (CID 118266893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).