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

C6H6N2O3 — CID 18672176

IUPAC(2-oxo-1H-pyridin-3-yl)carbamic acid
SMILESO=C(O)Nc1ccc[nH]c1=O
InChIInChI=1S/C6H6N2O3/c9-5-4(8-6(10)11)2-1-3-7-5/h1-3,8H,(H,7,9)(H,10,11)
InChIKeyZENPTSOBLDIRGR-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.46
Rot. Bonds1

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

(2-oxo-1H-pyridin-3-yl)carbamic acid (PubChem CID 18672176) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is (2-oxo-1H-pyridin-3-yl)carbamic acid.

Molecular Properties

Compound Name(2-oxo-1H-pyridin-3-yl)carbamic acid
PubChem CID18672176
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name(2-oxo-1H-pyridin-3-yl)carbamic acid
SMILESO=C(O)Nc1ccc[nH]c1=O
InChIInChI=1S/C6H6N2O3/c9-5-4(8-6(10)11)2-1-3-7-5/h1-3,8H,(H,7,9)(H,10,11)
InChIKeyZENPTSOBLDIRGR-UHFFFAOYSA-N
XLogP0.46
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-pyridin-3-yl)carbamic acid?
The IUPAC name of (2-oxo-1H-pyridin-3-yl)carbamic acid (CID 18672176) is (2-oxo-1H-pyridin-3-yl)carbamic acid.
What is the SMILES notation for (2-oxo-1H-pyridin-3-yl)carbamic acid?
The canonical SMILES for (2-oxo-1H-pyridin-3-yl)carbamic acid is O=C(O)Nc1ccc[nH]c1=O.
What is the InChIKey of (2-oxo-1H-pyridin-3-yl)carbamic acid?
The InChIKey is ZENPTSOBLDIRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c9-5-4(8-6(10)11)2-1-3-7-5/h1-3,8H,(H,7,9)(H,10,11).
What are the key properties of (2-oxo-1H-pyridin-3-yl)carbamic acid?
(2-oxo-1H-pyridin-3-yl)carbamic acid has a molecular weight of 154.12 g/mol, XLogP of 0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-pyridin-3-yl)carbamic acid is sourced from PubChem (CID 18672176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).