3-amino-5-bromopyridine-2-carboxamide

C6H6BrN3O — CID 21075862

IUPAC3-amino-5-bromopyridine-2-carboxamide
SMILESNC(=O)c1ncc(Br)cc1N
InChIInChI=1S/C6H6BrN3O/c7-3-1-4(8)5(6(9)11)10-2-3/h1-2H,8H2,(H2,9,11)
InChIKeyVKYMXWCCSJWUQY-UHFFFAOYSA-N
MW216.04 g/mol
LogP0.53
Rot. Bonds1

About 3-amino-5-bromopyridine-2-carboxamide

3-amino-5-bromopyridine-2-carboxamide (PubChem CID 21075862) has the molecular formula C6H6BrN3O and a molecular weight of 216.04 g/mol. Its IUPAC name is 3-amino-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromopyridine-2-carboxamide
PubChem CID21075862
Molecular FormulaC6H6BrN3O
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC Name3-amino-5-bromopyridine-2-carboxamide
SMILESNC(=O)c1ncc(Br)cc1N
InChIInChI=1S/C6H6BrN3O/c7-3-1-4(8)5(6(9)11)10-2-3/h1-2H,8H2,(H2,9,11)
InChIKeyVKYMXWCCSJWUQY-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromopyridine-2-carboxamide?
The IUPAC name of 3-amino-5-bromopyridine-2-carboxamide (CID 21075862) is 3-amino-5-bromopyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromopyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-bromopyridine-2-carboxamide is NC(=O)c1ncc(Br)cc1N.
What is the InChIKey of 3-amino-5-bromopyridine-2-carboxamide?
The InChIKey is VKYMXWCCSJWUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O/c7-3-1-4(8)5(6(9)11)10-2-3/h1-2H,8H2,(H2,9,11).
What are the key properties of 3-amino-5-bromopyridine-2-carboxamide?
3-amino-5-bromopyridine-2-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-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 21075862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).