N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide

C11H13BrN2O — CID 103841304

IUPACN-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cccnc1Br
InChIInChI=1S/C11H13BrN2O/c1-11(2)6-7(11)10(15)14-8-4-3-5-13-9(8)12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyAKRIMRHMDZOIGQ-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.83
Rot. Bonds2

About N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 103841304) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID103841304
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC NameN-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cccnc1Br
InChIInChI=1S/C11H13BrN2O/c1-11(2)6-7(11)10(15)14-8-4-3-5-13-9(8)12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyAKRIMRHMDZOIGQ-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.83
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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Related Compounds

N-(2-bromo-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 103819502
N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103578310
N-(2-bromo-3-pyridinyl)oxane-4-carboxamide
CID 103819148
N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 103819174
N-(2-bromo-3-pyridinyl)oxane-2-carboxamide
CID 103822374
N-(2-bromo-3-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 113268388
(1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 154751085
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107000562
N-(2-bromo-3-pyridinyl)-2-methylbutanamide
CID 103819396
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943345
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 103841304) is N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1cccnc1Br.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is AKRIMRHMDZOIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-11(2)6-7(11)10(15)14-8-4-3-5-13-9(8)12/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 269.14 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 103841304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).