4-chloro-2-oxo-1H-pyridine-3-carboxamide

C6H5ClN2O2 — CID 91019103

IUPAC4-chloro-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(Cl)cc[nH]c1=O
InChIInChI=1S/C6H5ClN2O2/c7-3-1-2-9-6(11)4(3)5(8)10/h1-2H,(H2,8,10)(H,9,11)
InChIKeyMTMQISYNWMNNAM-UHFFFAOYSA-N
MW172.57 g/mol
LogP0.13
Rot. Bonds1

About 4-chloro-2-oxo-1H-pyridine-3-carboxamide

4-chloro-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 91019103) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 4-chloro-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2-oxo-1H-pyridine-3-carboxamide
PubChem CID91019103
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name4-chloro-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(Cl)cc[nH]c1=O
InChIInChI=1S/C6H5ClN2O2/c7-3-1-2-9-6(11)4(3)5(8)10/h1-2H,(H2,8,10)(H,9,11)
InChIKeyMTMQISYNWMNNAM-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 4-chloro-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-chloro-2-oxo-1H-pyridine-3-carboxamide (CID 91019103) is 4-chloro-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-2-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c(Cl)cc[nH]c1=O.
What is the InChIKey of 4-chloro-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MTMQISYNWMNNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c7-3-1-2-9-6(11)4(3)5(8)10/h1-2H,(H2,8,10)(H,9,11).
What are the key properties of 4-chloro-2-oxo-1H-pyridine-3-carboxamide?
4-chloro-2-oxo-1H-pyridine-3-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 4-chloro-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91019103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).