N-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide

C9H11BrFN3O — CID 165391550

IUPACN-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide
SMILESNCC(F)CNC(=O)c1cccc(Br)n1
InChIInChI=1S/C9H11BrFN3O/c10-8-3-1-2-7(14-8)9(15)13-5-6(11)4-12/h1-3,6H,4-5,12H2,(H,13,15)
InChIKeyADVMXIAHGVJEBK-UHFFFAOYSA-N
MW276.11 g/mol
LogP0.87
Rot. Bonds4

About N-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide

N-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide (PubChem CID 165391550) has the molecular formula C9H11BrFN3O and a molecular weight of 276.11 g/mol. Its IUPAC name is N-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide
PubChem CID165391550
Molecular FormulaC9H11BrFN3O
Molecular Weight276.11 g/mol
Exact Mass275.01
IUPAC NameN-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide
SMILESNCC(F)CNC(=O)c1cccc(Br)n1
InChIInChI=1S/C9H11BrFN3O/c10-8-3-1-2-7(14-8)9(15)13-5-6(11)4-12/h1-3,6H,4-5,12H2,(H,13,15)
InChIKeyADVMXIAHGVJEBK-UHFFFAOYSA-N
XLogP0.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 50.87
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 N-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide?
The IUPAC name of N-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide (CID 165391550) is N-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide?
The canonical SMILES for N-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide is NCC(F)CNC(=O)c1cccc(Br)n1.
What is the InChIKey of N-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide?
The InChIKey is ADVMXIAHGVJEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN3O/c10-8-3-1-2-7(14-8)9(15)13-5-6(11)4-12/h1-3,6H,4-5,12H2,(H,13,15).
What are the key properties of N-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide?
N-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide has a molecular weight of 276.11 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-fluoropropyl)-6-bromopyridine-2-carboxamide is sourced from PubChem (CID 165391550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).