(1-methyl-2-oxo-3-pyridinyl)carbamic acid

C7H8N2O3 — CID 175194435

IUPAC(1-methyl-2-oxo-3-pyridinyl)carbamic acid
SMILESCn1cccc(NC(=O)O)c1=O
InChIInChI=1S/C7H8N2O3/c1-9-4-2-3-5(6(9)10)8-7(11)12/h2-4,8H,1H3,(H,11,12)
InChIKeyWHACFMDGCOBMOK-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.48
Rot. Bonds1

About (1-methyl-2-oxo-3-pyridinyl)carbamic acid

(1-methyl-2-oxo-3-pyridinyl)carbamic acid (PubChem CID 175194435) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (1-methyl-2-oxo-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(1-methyl-2-oxo-3-pyridinyl)carbamic acid
PubChem CID175194435
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(1-methyl-2-oxo-3-pyridinyl)carbamic acid
SMILESCn1cccc(NC(=O)O)c1=O
InChIInChI=1S/C7H8N2O3/c1-9-4-2-3-5(6(9)10)8-7(11)12/h2-4,8H,1H3,(H,11,12)
InChIKeyWHACFMDGCOBMOK-UHFFFAOYSA-N
XLogP0.48
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-oxo-3-pyridinyl)carbamic acid?
The IUPAC name of (1-methyl-2-oxo-3-pyridinyl)carbamic acid (CID 175194435) is (1-methyl-2-oxo-3-pyridinyl)carbamic acid.
What is the SMILES notation for (1-methyl-2-oxo-3-pyridinyl)carbamic acid?
The canonical SMILES for (1-methyl-2-oxo-3-pyridinyl)carbamic acid is Cn1cccc(NC(=O)O)c1=O.
What is the InChIKey of (1-methyl-2-oxo-3-pyridinyl)carbamic acid?
The InChIKey is WHACFMDGCOBMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-9-4-2-3-5(6(9)10)8-7(11)12/h2-4,8H,1H3,(H,11,12).
What are the key properties of (1-methyl-2-oxo-3-pyridinyl)carbamic acid?
(1-methyl-2-oxo-3-pyridinyl)carbamic acid has a molecular weight of 168.15 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-oxo-3-pyridinyl)carbamic acid is sourced from PubChem (CID 175194435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).