4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid

C6H5ClN2O3 — CID 133059323

IUPAC4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid
SMILESNc1cc(Cl)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C6H5ClN2O3/c7-3-1-2(8)4(6(11)12)5(10)9-3/h1H,(H,11,12)(H3,8,9,10)
InChIKeyAFMYOJVEIAUSKE-UHFFFAOYSA-N
MW188.57 g/mol
LogP0.31
Rot. Bonds1

About 4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid

4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 133059323) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is 4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID133059323
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC Name4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid
SMILESNc1cc(Cl)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C6H5ClN2O3/c7-3-1-2(8)4(6(11)12)5(10)9-3/h1H,(H,11,12)(H3,8,9,10)
InChIKeyAFMYOJVEIAUSKE-UHFFFAOYSA-N
XLogP0.31
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid (CID 133059323) is 4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid is Nc1cc(Cl)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is AFMYOJVEIAUSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c7-3-1-2(8)4(6(11)12)5(10)9-3/h1H,(H,11,12)(H3,8,9,10).
What are the key properties of 4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid?
4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 188.57 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 133059323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).