5-chloro-6-oxo-1H-pyridine-2-carboxamide

C6H5ClN2O2 — CID 118598949

IUPAC5-chloro-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Cl)c(=O)[nH]1
InChIInChI=1S/C6H5ClN2O2/c7-3-1-2-4(5(8)10)9-6(3)11/h1-2H,(H2,8,10)(H,9,11)
InChIKeyWRYBBJGCJLDTDI-UHFFFAOYSA-N
MW172.57 g/mol
LogP0.13
Rot. Bonds1

About 5-chloro-6-oxo-1H-pyridine-2-carboxamide

5-chloro-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 118598949) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 5-chloro-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-oxo-1H-pyridine-2-carboxamide
PubChem CID118598949
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name5-chloro-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Cl)c(=O)[nH]1
InChIInChI=1S/C6H5ClN2O2/c7-3-1-2-4(5(8)10)9-6(3)11/h1-2H,(H2,8,10)(H,9,11)
InChIKeyWRYBBJGCJLDTDI-UHFFFAOYSA-N
XLogP0.13
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 5-chloro-6-oxo-1H-pyridine-2-carboxamide (CID 118598949) is 5-chloro-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-6-oxo-1H-pyridine-2-carboxamide is NC(=O)c1ccc(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is WRYBBJGCJLDTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c7-3-1-2-4(5(8)10)9-6(3)11/h1-2H,(H2,8,10)(H,9,11).
What are the key properties of 5-chloro-6-oxo-1H-pyridine-2-carboxamide?
5-chloro-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 172.57 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 118598949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).