5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide

C11H10BrF3N2O — CID 70979405

IUPAC5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide
SMILESCC1C(F)(F)C1(F)N(C)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H10BrF3N2O/c1-6-10(13,14)11(6,15)17(2)9(18)8-4-3-7(12)5-16-8/h3-6H,1-2H3
InChIKeyVUDMDXHABKGDID-UHFFFAOYSA-N
MW323.11 g/mol
LogP2.87
Rot. Bonds2

About 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide

5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide (PubChem CID 70979405) has the molecular formula C11H10BrF3N2O and a molecular weight of 323.11 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide
PubChem CID70979405
Molecular FormulaC11H10BrF3N2O
Molecular Weight323.11 g/mol
Exact Mass321.99
IUPAC Name5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide
SMILESCC1C(F)(F)C1(F)N(C)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H10BrF3N2O/c1-6-10(13,14)11(6,15)17(2)9(18)8-4-3-7(12)5-16-8/h3-6H,1-2H3
InChIKeyVUDMDXHABKGDID-UHFFFAOYSA-N
XLogP2.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.11
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide (CID 70979405) is 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide is CC1C(F)(F)C1(F)N(C)C(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide?
The InChIKey is VUDMDXHABKGDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O/c1-6-10(13,14)11(6,15)17(2)9(18)8-4-3-7(12)5-16-8/h3-6H,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide?
5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide has a molecular weight of 323.11 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyridine-2-carboxamide is sourced from PubChem (CID 70979405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).