2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide

C10H7Br2N3O — CID 154867522

IUPAC2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide
SMILESN#CC1(NC(=O)c2cc(Br)cnc2Br)CC1
InChIInChI=1S/C10H7Br2N3O/c11-6-3-7(8(12)14-4-6)9(16)15-10(5-13)1-2-10/h3-4H,1-2H2,(H,15,16)
InChIKeyFGNIFTHPALJUPO-UHFFFAOYSA-N
MW344.99 g/mol
LogP2.39
Rot. Bonds2

About 2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide

2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide (PubChem CID 154867522) has the molecular formula C10H7Br2N3O and a molecular weight of 344.99 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide
PubChem CID154867522
Molecular FormulaC10H7Br2N3O
Molecular Weight344.99 g/mol
Exact Mass342.90
IUPAC Name2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide
SMILESN#CC1(NC(=O)c2cc(Br)cnc2Br)CC1
InChIInChI=1S/C10H7Br2N3O/c11-6-3-7(8(12)14-4-6)9(16)15-10(5-13)1-2-10/h3-4H,1-2H2,(H,15,16)
InChIKeyFGNIFTHPALJUPO-UHFFFAOYSA-N
XLogP2.39
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.99
LogP ≤ 52.39
H-Bond Donors ≤ 51
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 2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide (CID 154867522) is 2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide is N#CC1(NC(=O)c2cc(Br)cnc2Br)CC1.
What is the InChIKey of 2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide?
The InChIKey is FGNIFTHPALJUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N3O/c11-6-3-7(8(12)14-4-6)9(16)15-10(5-13)1-2-10/h3-4H,1-2H2,(H,15,16).
What are the key properties of 2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide?
2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide has a molecular weight of 344.99 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide is sourced from PubChem (CID 154867522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).