carbamic acid;1-nitroso-2H-pyridin-2-ol

C6H9N3O4 — CID 21121026

IUPACcarbamic acid;1-nitroso-2H-pyridin-2-ol
SMILESNC(=O)O.O=NN1C=CC=CC1O
InChIInChI=1S/C5H6N2O2.CH3NO2/c8-5-3-1-2-4-7(5)6-9;2-1(3)4/h1-5,8H;2H2,(H,3,4)
InChIKeyMYMBVONVAMZLIF-UHFFFAOYSA-N
MW187.16 g/mol
LogP-0.01
Rot. Bonds1

About carbamic acid;1-nitroso-2H-pyridin-2-ol

carbamic acid;1-nitroso-2H-pyridin-2-ol (PubChem CID 21121026) has the molecular formula C6H9N3O4 and a molecular weight of 187.16 g/mol. Its IUPAC name is carbamic acid;1-nitroso-2H-pyridin-2-ol.

Molecular Properties

Compound Namecarbamic acid;1-nitroso-2H-pyridin-2-ol
PubChem CID21121026
Molecular FormulaC6H9N3O4
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Namecarbamic acid;1-nitroso-2H-pyridin-2-ol
SMILESNC(=O)O.O=NN1C=CC=CC1O
InChIInChI=1S/C5H6N2O2.CH3NO2/c8-5-3-1-2-4-7(5)6-9;2-1(3)4/h1-5,8H;2H2,(H,3,4)
InChIKeyMYMBVONVAMZLIF-UHFFFAOYSA-N
XLogP-0.01
TPSA116.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze carbamic acid;1-nitroso-2H-pyridin-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbamic acid;1-nitroso-2H-pyridin-2-ol?
The IUPAC name of carbamic acid;1-nitroso-2H-pyridin-2-ol (CID 21121026) is carbamic acid;1-nitroso-2H-pyridin-2-ol.
What is the SMILES notation for carbamic acid;1-nitroso-2H-pyridin-2-ol?
The canonical SMILES for carbamic acid;1-nitroso-2H-pyridin-2-ol is NC(=O)O.O=NN1C=CC=CC1O.
What is the InChIKey of carbamic acid;1-nitroso-2H-pyridin-2-ol?
The InChIKey is MYMBVONVAMZLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.CH3NO2/c8-5-3-1-2-4-7(5)6-9;2-1(3)4/h1-5,8H;2H2,(H,3,4).
What are the key properties of carbamic acid;1-nitroso-2H-pyridin-2-ol?
carbamic acid;1-nitroso-2H-pyridin-2-ol has a molecular weight of 187.16 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;1-nitroso-2H-pyridin-2-ol is sourced from PubChem (CID 21121026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).