carbamoyl 6-amino-5-bromopyridine-3-carboximidate

C7H7BrN4O2 — CID 172631382

IUPACcarbamoyl 6-amino-5-bromopyridine-3-carboximidate
SMILES[H]/N=C(\OC(N)=O)c1cnc(N)c(Br)c1
InChIInChI=1S/C7H7BrN4O2/c8-4-1-3(2-12-5(4)9)6(10)14-7(11)13/h1-2,10H,(H2,9,12)(H2,11,13)/b10-6-
InChIKeyFEAMRVMYKMDHPL-POHAHGRESA-N
MW259.06 g/mol
LogP0.85
Rot. Bonds1

About carbamoyl 6-amino-5-bromopyridine-3-carboximidate

carbamoyl 6-amino-5-bromopyridine-3-carboximidate (PubChem CID 172631382) has the molecular formula C7H7BrN4O2 and a molecular weight of 259.06 g/mol. Its IUPAC name is carbamoyl 6-amino-5-bromopyridine-3-carboximidate.

Molecular Properties

Compound Namecarbamoyl 6-amino-5-bromopyridine-3-carboximidate
PubChem CID172631382
Molecular FormulaC7H7BrN4O2
Molecular Weight259.06 g/mol
Exact Mass257.98
IUPAC Namecarbamoyl 6-amino-5-bromopyridine-3-carboximidate
SMILES[H]/N=C(\OC(N)=O)c1cnc(N)c(Br)c1
InChIInChI=1S/C7H7BrN4O2/c8-4-1-3(2-12-5(4)9)6(10)14-7(11)13/h1-2,10H,(H2,9,12)(H2,11,13)/b10-6-
InChIKeyFEAMRVMYKMDHPL-POHAHGRESA-N
XLogP0.85
TPSA115.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.06
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamoyl 6-amino-5-bromopyridine-3-carboximidate?
The IUPAC name of carbamoyl 6-amino-5-bromopyridine-3-carboximidate (CID 172631382) is carbamoyl 6-amino-5-bromopyridine-3-carboximidate.
What is the SMILES notation for carbamoyl 6-amino-5-bromopyridine-3-carboximidate?
The canonical SMILES for carbamoyl 6-amino-5-bromopyridine-3-carboximidate is [H]/N=C(\OC(N)=O)c1cnc(N)c(Br)c1.
What is the InChIKey of carbamoyl 6-amino-5-bromopyridine-3-carboximidate?
The InChIKey is FEAMRVMYKMDHPL-POHAHGRESA-N. The full InChI is InChI=1S/C7H7BrN4O2/c8-4-1-3(2-12-5(4)9)6(10)14-7(11)13/h1-2,10H,(H2,9,12)(H2,11,13)/b10-6-.
What are the key properties of carbamoyl 6-amino-5-bromopyridine-3-carboximidate?
carbamoyl 6-amino-5-bromopyridine-3-carboximidate has a molecular weight of 259.06 g/mol, XLogP of 0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 6-amino-5-bromopyridine-3-carboximidate is sourced from PubChem (CID 172631382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).