N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide

C9H8BrFN2O — CID 115646427

IUPACN-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide
SMILESC=C(Br)CNC(=O)c1ccncc1F
InChIInChI=1S/C9H8BrFN2O/c1-6(10)4-13-9(14)7-2-3-12-5-8(7)11/h2-3,5H,1,4H2,(H,13,14)
InChIKeyPJOOYNKWGYTGLI-UHFFFAOYSA-N
MW259.08 g/mol
LogP1.86
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide

N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide (PubChem CID 115646427) has the molecular formula C9H8BrFN2O and a molecular weight of 259.08 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide
PubChem CID115646427
Molecular FormulaC9H8BrFN2O
Molecular Weight259.08 g/mol
Exact Mass257.98
IUPAC NameN-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide
SMILESC=C(Br)CNC(=O)c1ccncc1F
InChIInChI=1S/C9H8BrFN2O/c1-6(10)4-13-9(14)7-2-3-12-5-8(7)11/h2-3,5H,1,4H2,(H,13,14)
InChIKeyPJOOYNKWGYTGLI-UHFFFAOYSA-N
XLogP1.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-2-fluorobenzamide
CID 115594605
3-fluoro-N-phenacylpyridine-4-carboxamide
CID 64991811
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
N-[(E)-4-chlorobut-2-enyl]-3-fluoropyridine-4-carboxamide
CID 81429360
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 104600458
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide (CID 115646427) is N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide is C=C(Br)CNC(=O)c1ccncc1F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is PJOOYNKWGYTGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O/c1-6(10)4-13-9(14)7-2-3-12-5-8(7)11/h2-3,5H,1,4H2,(H,13,14).
What are the key properties of N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide?
N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 259.08 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115646427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).