5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide

C7H6BrClN2O2 — CID 146862601

IUPAC5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCNC(=O)c1[nH]c(=O)c(Br)cc1Cl
InChIInChI=1S/C7H6BrClN2O2/c1-10-7(13)5-4(9)2-3(8)6(12)11-5/h2H,1H3,(H,10,13)(H,11,12)
InChIKeySKYNBUPVVUATIB-UHFFFAOYSA-N
MW265.49 g/mol
LogP1.15
Rot. Bonds1

About 5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide

5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 146862601) has the molecular formula C7H6BrClN2O2 and a molecular weight of 265.49 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide
PubChem CID146862601
Molecular FormulaC7H6BrClN2O2
Molecular Weight265.49 g/mol
Exact Mass263.93
IUPAC Name5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCNC(=O)c1[nH]c(=O)c(Br)cc1Cl
InChIInChI=1S/C7H6BrClN2O2/c1-10-7(13)5-4(9)2-3(8)6(12)11-5/h2H,1H3,(H,10,13)(H,11,12)
InChIKeySKYNBUPVVUATIB-UHFFFAOYSA-N
XLogP1.15
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide (CID 146862601) is 5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide is CNC(=O)c1[nH]c(=O)c(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is SKYNBUPVVUATIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O2/c1-10-7(13)5-4(9)2-3(8)6(12)11-5/h2H,1H3,(H,10,13)(H,11,12).
What are the key properties of 5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide?
5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 265.49 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-methyl-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 146862601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).