3-amino-2-bromopyridine-4-carboxamide

C6H6BrN3O — CID 112757948

IUPAC3-amino-2-bromopyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Br)c1N
InChIInChI=1S/C6H6BrN3O/c7-5-4(8)3(6(9)11)1-2-10-5/h1-2H,8H2,(H2,9,11)
InChIKeyGDVAZWROBXMUSA-UHFFFAOYSA-N
MW216.04 g/mol
LogP0.53
Rot. Bonds1

About 3-amino-2-bromopyridine-4-carboxamide

3-amino-2-bromopyridine-4-carboxamide (PubChem CID 112757948) has the molecular formula C6H6BrN3O and a molecular weight of 216.04 g/mol. Its IUPAC name is 3-amino-2-bromopyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-2-bromopyridine-4-carboxamide
PubChem CID112757948
Molecular FormulaC6H6BrN3O
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC Name3-amino-2-bromopyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Br)c1N
InChIInChI=1S/C6H6BrN3O/c7-5-4(8)3(6(9)11)1-2-10-5/h1-2H,8H2,(H2,9,11)
InChIKeyGDVAZWROBXMUSA-UHFFFAOYSA-N
XLogP0.53
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 50.53
H-Bond Donors ≤ 52
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 3-amino-2-bromopyridine-4-carboxamide?
The IUPAC name of 3-amino-2-bromopyridine-4-carboxamide (CID 112757948) is 3-amino-2-bromopyridine-4-carboxamide.
What is the SMILES notation for 3-amino-2-bromopyridine-4-carboxamide?
The canonical SMILES for 3-amino-2-bromopyridine-4-carboxamide is NC(=O)c1ccnc(Br)c1N.
What is the InChIKey of 3-amino-2-bromopyridine-4-carboxamide?
The InChIKey is GDVAZWROBXMUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O/c7-5-4(8)3(6(9)11)1-2-10-5/h1-2H,8H2,(H2,9,11).
What are the key properties of 3-amino-2-bromopyridine-4-carboxamide?
3-amino-2-bromopyridine-4-carboxamide has a molecular weight of 216.04 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromopyridine-4-carboxamide is sourced from PubChem (CID 112757948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).