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

C6H5BrClN3O2 — CID 146650379

IUPAC1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide
SMILESNC(=O)c1c(Cl)cc(Br)c(=O)n1N
InChIInChI=1S/C6H5BrClN3O2/c7-2-1-3(8)4(5(9)12)11(10)6(2)13/h1H,10H2,(H2,9,12)
InChIKeyLRVNEVWIPXMXDT-UHFFFAOYSA-N
MW266.48 g/mol
LogP0.08
Rot. Bonds1

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

1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide (PubChem CID 146650379) has the molecular formula C6H5BrClN3O2 and a molecular weight of 266.48 g/mol. Its IUPAC name is 1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide
PubChem CID146650379
Molecular FormulaC6H5BrClN3O2
Molecular Weight266.48 g/mol
Exact Mass264.93
IUPAC Name1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide
SMILESNC(=O)c1c(Cl)cc(Br)c(=O)n1N
InChIInChI=1S/C6H5BrClN3O2/c7-2-1-3(8)4(5(9)12)11(10)6(2)13/h1H,10H2,(H2,9,12)
InChIKeyLRVNEVWIPXMXDT-UHFFFAOYSA-N
XLogP0.08
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.48
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide?
The IUPAC name of 1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide (CID 146650379) is 1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide?
The canonical SMILES for 1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide is NC(=O)c1c(Cl)cc(Br)c(=O)n1N.
What is the InChIKey of 1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide?
The InChIKey is LRVNEVWIPXMXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN3O2/c7-2-1-3(8)4(5(9)12)11(10)6(2)13/h1H,10H2,(H2,9,12).
What are the key properties of 1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide?
1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide has a molecular weight of 266.48 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-bromo-3-chloro-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 146650379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).