5-amino-2-bromo-N-methylpyridine-3-carboxamide

C7H8BrN3O — CID 99981273

IUPAC5-amino-2-bromo-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(N)cnc1Br
InChIInChI=1S/C7H8BrN3O/c1-10-7(12)5-2-4(9)3-11-6(5)8/h2-3H,9H2,1H3,(H,10,12)
InChIKeyRSQPNFMWZQTFBL-UHFFFAOYSA-N
MW230.06 g/mol
LogP0.79
Rot. Bonds1

About 5-amino-2-bromo-N-methylpyridine-3-carboxamide

5-amino-2-bromo-N-methylpyridine-3-carboxamide (PubChem CID 99981273) has the molecular formula C7H8BrN3O and a molecular weight of 230.06 g/mol. Its IUPAC name is 5-amino-2-bromo-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-methylpyridine-3-carboxamide
PubChem CID99981273
Molecular FormulaC7H8BrN3O
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name5-amino-2-bromo-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(N)cnc1Br
InChIInChI=1S/C7H8BrN3O/c1-10-7(12)5-2-4(9)3-11-6(5)8/h2-3H,9H2,1H3,(H,10,12)
InChIKeyRSQPNFMWZQTFBL-UHFFFAOYSA-N
XLogP0.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 50.79
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 5-amino-2-bromo-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-2-bromo-N-methylpyridine-3-carboxamide (CID 99981273) is 5-amino-2-bromo-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-bromo-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-bromo-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(N)cnc1Br.
What is the InChIKey of 5-amino-2-bromo-N-methylpyridine-3-carboxamide?
The InChIKey is RSQPNFMWZQTFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O/c1-10-7(12)5-2-4(9)3-11-6(5)8/h2-3H,9H2,1H3,(H,10,12).
What are the key properties of 5-amino-2-bromo-N-methylpyridine-3-carboxamide?
5-amino-2-bromo-N-methylpyridine-3-carboxamide has a molecular weight of 230.06 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 99981273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).