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

C7H6BrClN2O2 — CID 163542170

IUPAC5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide
SMILESCn1c(C(N)=O)c(Cl)cc(Br)c1=O
InChIInChI=1S/C7H6BrClN2O2/c1-11-5(6(10)12)4(9)2-3(8)7(11)13/h2H,1H3,(H2,10,12)
InChIKeyFCAIKKONIWKYQC-UHFFFAOYSA-N
MW265.49 g/mol
LogP0.90
Rot. Bonds1

About 5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide

5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide (PubChem CID 163542170) has the molecular formula C7H6BrClN2O2 and a molecular weight of 265.49 g/mol. Its IUPAC name is 5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide
PubChem CID163542170
Molecular FormulaC7H6BrClN2O2
Molecular Weight265.49 g/mol
Exact Mass263.93
IUPAC Name5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide
SMILESCn1c(C(N)=O)c(Cl)cc(Br)c1=O
InChIInChI=1S/C7H6BrClN2O2/c1-11-5(6(10)12)4(9)2-3(8)7(11)13/h2H,1H3,(H2,10,12)
InChIKeyFCAIKKONIWKYQC-UHFFFAOYSA-N
XLogP0.90
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide (CID 163542170) is 5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide is Cn1c(C(N)=O)c(Cl)cc(Br)c1=O.
What is the InChIKey of 5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide?
The InChIKey is FCAIKKONIWKYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O2/c1-11-5(6(10)12)4(9)2-3(8)7(11)13/h2H,1H3,(H2,10,12).
What are the key properties of 5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide?
5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide has a molecular weight of 265.49 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-1-methyl-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 163542170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).