6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid

C16H11IN2O4 — CID 141445682

IUPAC6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1nc(I)c2ccn(Cc3ccccc3)c(=O)c2c1O
InChIInChI=1S/C16H11IN2O4/c17-14-10-6-7-19(8-9-4-2-1-3-5-9)15(21)11(10)13(20)12(18-14)16(22)23/h1-7,20H,8H2,(H,22,23)
InChIKeyKVCYSPIIKWCBTQ-UHFFFAOYSA-N
MW422.18 g/mol
LogP2.45
Rot. Bonds3

About 6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid

6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid (PubChem CID 141445682) has the molecular formula C16H11IN2O4 and a molecular weight of 422.18 g/mol. Its IUPAC name is 6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid
PubChem CID141445682
Molecular FormulaC16H11IN2O4
Molecular Weight422.18 g/mol
Exact Mass421.98
IUPAC Name6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1nc(I)c2ccn(Cc3ccccc3)c(=O)c2c1O
InChIInChI=1S/C16H11IN2O4/c17-14-10-6-7-19(8-9-4-2-1-3-5-9)15(21)11(10)13(20)12(18-14)16(22)23/h1-7,20H,8H2,(H,22,23)
InChIKeyKVCYSPIIKWCBTQ-UHFFFAOYSA-N
XLogP2.45
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.18
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 4-hydroxy-1-iodo-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxylate
CID 174713333
1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane
CID 174793630
8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid
CID 174704654
2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid
CID 118890663
4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one
CID 58252389
7-iodo-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 91216154
4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide
CID 59304332
2-benzyl-6-(4-hydroxyphenyl)isoquinolin-1-one
CID 171782193
2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one
CID 141351985
1-benzyl-5-chloroimidazole-4-carboxylic acid
CID 68558649
N-(1-benzyl-2-oxo-3-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 86792345
2-benzyl-6-bromoisoquinolin-1-one
CID 18963984

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid (CID 141445682) is 6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid is O=C(O)c1nc(I)c2ccn(Cc3ccccc3)c(=O)c2c1O.
What is the InChIKey of 6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid?
The InChIKey is KVCYSPIIKWCBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IN2O4/c17-14-10-6-7-19(8-9-4-2-1-3-5-9)15(21)11(10)13(20)12(18-14)16(22)23/h1-7,20H,8H2,(H,22,23).
What are the key properties of 6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid?
6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid has a molecular weight of 422.18 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 141445682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).