(6-formyl-2-pyridinyl)carbamic acid

C7H6N2O3 — CID 87302689

IUPAC(6-formyl-2-pyridinyl)carbamic acid
SMILESO=Cc1cccc(NC(=O)O)n1
InChIInChI=1S/C7H6N2O3/c10-4-5-2-1-3-6(8-5)9-7(11)12/h1-4H,(H,8,9)(H,11,12)
InChIKeyIMPPCCUQVAPLKU-UHFFFAOYSA-N
MW166.14 g/mol
LogP0.98
Rot. Bonds2

About (6-formyl-2-pyridinyl)carbamic acid

(6-formyl-2-pyridinyl)carbamic acid (PubChem CID 87302689) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is (6-formyl-2-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(6-formyl-2-pyridinyl)carbamic acid
PubChem CID87302689
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name(6-formyl-2-pyridinyl)carbamic acid
SMILESO=Cc1cccc(NC(=O)O)n1
InChIInChI=1S/C7H6N2O3/c10-4-5-2-1-3-6(8-5)9-7(11)12/h1-4H,(H,8,9)(H,11,12)
InChIKeyIMPPCCUQVAPLKU-UHFFFAOYSA-N
XLogP0.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-formyl-2-pyridinyl)carbamic acid?
The IUPAC name of (6-formyl-2-pyridinyl)carbamic acid (CID 87302689) is (6-formyl-2-pyridinyl)carbamic acid.
What is the SMILES notation for (6-formyl-2-pyridinyl)carbamic acid?
The canonical SMILES for (6-formyl-2-pyridinyl)carbamic acid is O=Cc1cccc(NC(=O)O)n1.
What is the InChIKey of (6-formyl-2-pyridinyl)carbamic acid?
The InChIKey is IMPPCCUQVAPLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c10-4-5-2-1-3-6(8-5)9-7(11)12/h1-4H,(H,8,9)(H,11,12).
What are the key properties of (6-formyl-2-pyridinyl)carbamic acid?
(6-formyl-2-pyridinyl)carbamic acid has a molecular weight of 166.14 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-formyl-2-pyridinyl)carbamic acid is sourced from PubChem (CID 87302689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).