N-(2-oxo-1H-pyridin-3-yl)formamide

C6H6N2O2 — CID 21101580

IUPACN-(2-oxo-1H-pyridin-3-yl)formamide
SMILESO=CNc1ccc[nH]c1=O
InChIInChI=1S/C6H6N2O2/c9-4-8-5-2-1-3-7-6(5)10/h1-4H,(H,7,10)(H,8,9)
InChIKeyMDJJGSQHRWJXSN-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.06
Rot. Bonds2

About N-(2-oxo-1H-pyridin-3-yl)formamide

N-(2-oxo-1H-pyridin-3-yl)formamide (PubChem CID 21101580) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is N-(2-oxo-1H-pyridin-3-yl)formamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyridin-3-yl)formamide
PubChem CID21101580
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC NameN-(2-oxo-1H-pyridin-3-yl)formamide
SMILESO=CNc1ccc[nH]c1=O
InChIInChI=1S/C6H6N2O2/c9-4-8-5-2-1-3-7-6(5)10/h1-4H,(H,7,10)(H,8,9)
InChIKeyMDJJGSQHRWJXSN-UHFFFAOYSA-N
XLogP-0.06
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyridin-3-yl)formamide?
The IUPAC name of N-(2-oxo-1H-pyridin-3-yl)formamide (CID 21101580) is N-(2-oxo-1H-pyridin-3-yl)formamide.
What is the SMILES notation for N-(2-oxo-1H-pyridin-3-yl)formamide?
The canonical SMILES for N-(2-oxo-1H-pyridin-3-yl)formamide is O=CNc1ccc[nH]c1=O.
What is the InChIKey of N-(2-oxo-1H-pyridin-3-yl)formamide?
The InChIKey is MDJJGSQHRWJXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-4-8-5-2-1-3-7-6(5)10/h1-4H,(H,7,10)(H,8,9).
What are the key properties of N-(2-oxo-1H-pyridin-3-yl)formamide?
N-(2-oxo-1H-pyridin-3-yl)formamide has a molecular weight of 138.13 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyridin-3-yl)formamide is sourced from PubChem (CID 21101580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).