N-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide

C11H11BrF2N2O — CID 163387189

IUPACN-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC(F)(F)C2)c(Br)n1
InChIInChI=1S/C11H11BrF2N2O/c1-6-2-3-8(9(12)15-6)16-10(17)7-4-11(13,14)5-7/h2-3,7H,4-5H2,1H3,(H,16,17)
InChIKeyKQZBOOIMZIDOGY-UHFFFAOYSA-N
MW305.12 g/mol
LogP3.14
Rot. Bonds2

About N-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide

N-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 163387189) has the molecular formula C11H11BrF2N2O and a molecular weight of 305.12 g/mol. Its IUPAC name is N-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide
PubChem CID163387189
Molecular FormulaC11H11BrF2N2O
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC NameN-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC(F)(F)C2)c(Br)n1
InChIInChI=1S/C11H11BrF2N2O/c1-6-2-3-8(9(12)15-6)16-10(17)7-4-11(13,14)5-7/h2-3,7H,4-5H2,1H3,(H,16,17)
InChIKeyKQZBOOIMZIDOGY-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide (CID 163387189) is N-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide is Cc1ccc(NC(=O)C2CC(F)(F)C2)c(Br)n1.
What is the InChIKey of N-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is KQZBOOIMZIDOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O/c1-6-2-3-8(9(12)15-6)16-10(17)7-4-11(13,14)5-7/h2-3,7H,4-5H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide?
N-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 305.12 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-methyl-3-pyridinyl)-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 163387189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).