N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide

C11H14BrFN2O — CID 104786627

IUPACN-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
SMILESCC(C)C(CBr)NC(=O)c1cncc(F)c1
InChIInChI=1S/C11H14BrFN2O/c1-7(2)10(4-12)15-11(16)8-3-9(13)6-14-5-8/h3,5-7,10H,4H2,1-2H3,(H,15,16)
InChIKeyIDOSHGFPVBNFTB-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.37
Rot. Bonds4

About N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide

N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide (PubChem CID 104786627) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
PubChem CID104786627
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
SMILESCC(C)C(CBr)NC(=O)c1cncc(F)c1
InChIInChI=1S/C11H14BrFN2O/c1-7(2)10(4-12)15-11(16)8-3-9(13)6-14-5-8/h3,5-7,10H,4H2,1-2H3,(H,15,16)
InChIKeyIDOSHGFPVBNFTB-UHFFFAOYSA-N
XLogP2.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromo-3-methylbutan-2-yl)-3-fluorobenzamide
CID 114315995
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
N-(1-bromo-3-methylbutan-2-yl)-3-fluoro-5-nitrobenzamide
CID 113276022
5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
CID 58833168
N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
CID 104786575
N-(1-bromo-4-methylpentan-3-yl)-3,5-difluorobenzamide
CID 106355065
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191624
N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide
CID 114316290
N-(1-iodo-3-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 107859937
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79247363

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide (CID 104786627) is N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide is CC(C)C(CBr)NC(=O)c1cncc(F)c1.
What is the InChIKey of N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide?
The InChIKey is IDOSHGFPVBNFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-7(2)10(4-12)15-11(16)8-3-9(13)6-14-5-8/h3,5-7,10H,4H2,1-2H3,(H,15,16).
What are the key properties of N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide?
N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide has a molecular weight of 289.15 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104786627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).