N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide

C11H14BrFN2O2 — CID 106155981

IUPACN-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide
SMILESCOCC(CCBr)NC(=O)c1ccncc1F
InChIInChI=1S/C11H14BrFN2O2/c1-17-7-8(2-4-12)15-11(16)9-3-5-14-6-10(9)13/h3,5-6,8H,2,4,7H2,1H3,(H,15,16)
InChIKeyWKMZSGIBGOFJNY-UHFFFAOYSA-N
MW305.15 g/mol
LogP1.75
Rot. Bonds6

About N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide

N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide (PubChem CID 106155981) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide
PubChem CID106155981
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide
SMILESCOCC(CCBr)NC(=O)c1ccncc1F
InChIInChI=1S/C11H14BrFN2O2/c1-17-7-8(2-4-12)15-11(16)9-3-5-14-6-10(9)13/h3,5-6,8H,2,4,7H2,1H3,(H,15,16)
InChIKeyWKMZSGIBGOFJNY-UHFFFAOYSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106156307
N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
N-(4-bromo-1-methoxybutan-2-yl)-2-fluoro-5-methylbenzamide
CID 106156531
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103862917
N-(4-bromo-1-methoxybutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106156171
N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 106156181
N-(4-bromo-1-methoxybutan-2-yl)-3,4-difluorobenzamide
CID 114151343
N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 106155964
N-(4-bromo-1-methoxybutan-2-yl)-3,4,5-trifluorobenzamide
CID 106156143
N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106156313
N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114311258
N-(4-bromo-1-methoxybutan-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 106156113

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide (CID 106155981) is N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide is COCC(CCBr)NC(=O)c1ccncc1F.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide?
The InChIKey is WKMZSGIBGOFJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c1-17-7-8(2-4-12)15-11(16)9-3-5-14-6-10(9)13/h3,5-6,8H,2,4,7H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide?
N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide has a molecular weight of 305.15 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 106155981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).