5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide

C11H10BrF3N2O — CID 70896463

IUPAC5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)cn1)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H10BrF3N2O/c1-17(10(4-5-10)11(13,14)15)9(18)8-3-2-7(12)6-16-8/h2-3,6H,4-5H2,1H3
InChIKeyOVIJMIAIFNSSTD-UHFFFAOYSA-N
MW323.11 g/mol
LogP3.01
Rot. Bonds2

About 5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide

5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide (PubChem CID 70896463) has the molecular formula C11H10BrF3N2O and a molecular weight of 323.11 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
PubChem CID70896463
Molecular FormulaC11H10BrF3N2O
Molecular Weight323.11 g/mol
Exact Mass321.99
IUPAC Name5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)cn1)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H10BrF3N2O/c1-17(10(4-5-10)11(13,14)15)9(18)8-3-2-7(12)6-16-8/h2-3,6H,4-5H2,1H3
InChIKeyOVIJMIAIFNSSTD-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide (CID 70896463) is 5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide is CN(C(=O)c1ccc(Br)cn1)C1(C(F)(F)F)CC1.
What is the InChIKey of 5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The InChIKey is OVIJMIAIFNSSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O/c1-17(10(4-5-10)11(13,14)15)9(18)8-3-2-7(12)6-16-8/h2-3,6H,4-5H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide has a molecular weight of 323.11 g/mol, XLogP of 3.01, 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-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 70896463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).