(5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid

C6H5IN2O3 — CID 91120653

IUPAC(5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid
SMILESO=C(O)Nc1cc(I)c[nH]c1=O
InChIInChI=1S/C6H5IN2O3/c7-3-1-4(9-6(11)12)5(10)8-2-3/h1-2,9H,(H,8,10)(H,11,12)
InChIKeyUMNWPFBCAOIVAR-UHFFFAOYSA-N
MW280.02 g/mol
LogP1.07
Rot. Bonds1

About (5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid

(5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid (PubChem CID 91120653) has the molecular formula C6H5IN2O3 and a molecular weight of 280.02 g/mol. Its IUPAC name is (5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid.

Molecular Properties

Compound Name(5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid
PubChem CID91120653
Molecular FormulaC6H5IN2O3
Molecular Weight280.02 g/mol
Exact Mass279.93
IUPAC Name(5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid
SMILESO=C(O)Nc1cc(I)c[nH]c1=O
InChIInChI=1S/C6H5IN2O3/c7-3-1-4(9-6(11)12)5(10)8-2-3/h1-2,9H,(H,8,10)(H,11,12)
InChIKeyUMNWPFBCAOIVAR-UHFFFAOYSA-N
XLogP1.07
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.02
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid?
The IUPAC name of (5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid (CID 91120653) is (5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid.
What is the SMILES notation for (5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid?
The canonical SMILES for (5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid is O=C(O)Nc1cc(I)c[nH]c1=O.
What is the InChIKey of (5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid?
The InChIKey is UMNWPFBCAOIVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IN2O3/c7-3-1-4(9-6(11)12)5(10)8-2-3/h1-2,9H,(H,8,10)(H,11,12).
What are the key properties of (5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid?
(5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid has a molecular weight of 280.02 g/mol, XLogP of 1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid is sourced from PubChem (CID 91120653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).