2-chloro-1-methyl-6-oxopyridine-3-carboxamide

C7H7ClN2O2 — CID 90225009

IUPAC2-chloro-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1c(Cl)c(C(N)=O)ccc1=O
InChIInChI=1S/C7H7ClN2O2/c1-10-5(11)3-2-4(6(10)8)7(9)12/h2-3H,1H3,(H2,9,12)
InChIKeyGLUZYKKZGXTASX-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.14
Rot. Bonds1

About 2-chloro-1-methyl-6-oxopyridine-3-carboxamide

2-chloro-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 90225009) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 2-chloro-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID90225009
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name2-chloro-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1c(Cl)c(C(N)=O)ccc1=O
InChIInChI=1S/C7H7ClN2O2/c1-10-5(11)3-2-4(6(10)8)7(9)12/h2-3H,1H3,(H2,9,12)
InChIKeyGLUZYKKZGXTASX-UHFFFAOYSA-N
XLogP0.14
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-chloro-1-methyl-6-oxopyridine-3-carboxamide (CID 90225009) is 2-chloro-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-chloro-1-methyl-6-oxopyridine-3-carboxamide is Cn1c(Cl)c(C(N)=O)ccc1=O.
What is the InChIKey of 2-chloro-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is GLUZYKKZGXTASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-10-5(11)3-2-4(6(10)8)7(9)12/h2-3H,1H3,(H2,9,12).
What are the key properties of 2-chloro-1-methyl-6-oxopyridine-3-carboxamide?
2-chloro-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 186.60 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 90225009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).