2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C13H8ClIN2O5 — CID 169407864

IUPAC2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccc(I)c(Cl)c2)c1C(=O)O
InChIInChI=1S/C13H8ClIN2O5/c14-5-3-4(1-2-6(5)15)7-8(12(19)20)10(16)17-11(18)9(7)13(21)22/h1-3H,(H,19,20)(H,21,22)(H3,16,17,18)
InChIKeyZPCIIVPJTGSCRD-UHFFFAOYSA-N
MW434.57 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407864) has the molecular formula C13H8ClIN2O5 and a molecular weight of 434.57 g/mol. Its IUPAC name is 2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169407864
Molecular FormulaC13H8ClIN2O5
Molecular Weight434.57 g/mol
Exact Mass433.92
IUPAC Name2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccc(I)c(Cl)c2)c1C(=O)O
InChIInChI=1S/C13H8ClIN2O5/c14-5-3-4(1-2-6(5)15)7-8(12(19)20)10(16)17-11(18)9(7)13(21)22/h1-3H,(H,19,20)(H,21,22)(H3,16,17,18)
InChIKeyZPCIIVPJTGSCRD-UHFFFAOYSA-N
XLogP2.28
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405280
2-amino-4-(4-iodo-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407868
2-amino-4-(3-chloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407296
2-amino-4-[3-chloro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405339
2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407946
2-amino-4-[4-(2-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405394
2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405860
2-amino-4-(3,5-dihydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405328
2-amino-4-(3-bromo-4-carboxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407841
2-amino-4-(4-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404956
2-amino-4-(4-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404976
2-amino-4-(4-chloro-2,3,6-trifluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407583

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169407864) is 2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2ccc(I)c(Cl)c2)c1C(=O)O.
What is the InChIKey of 2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is ZPCIIVPJTGSCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIN2O5/c14-5-3-4(1-2-6(5)15)7-8(12(19)20)10(16)17-11(18)9(7)13(21)22/h1-3H,(H,19,20)(H,21,22)(H3,16,17,18).
What are the key properties of 2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 434.57 g/mol, XLogP of 2.28, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).