N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide

C12H7BrF2N2O — CID 115694774

IUPACN-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1cncc(F)c1
InChIInChI=1S/C12H7BrF2N2O/c13-10-2-1-9(4-11(10)15)17-12(18)7-3-8(14)6-16-5-7/h1-6H,(H,17,18)
InChIKeyWTRUXPDYGZPHFN-UHFFFAOYSA-N
MW313.10 g/mol
LogP3.37
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide

N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide (PubChem CID 115694774) has the molecular formula C12H7BrF2N2O and a molecular weight of 313.10 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
PubChem CID115694774
Molecular FormulaC12H7BrF2N2O
Molecular Weight313.10 g/mol
Exact Mass311.97
IUPAC NameN-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1cncc(F)c1
InChIInChI=1S/C12H7BrF2N2O/c13-10-2-1-9(4-11(10)15)17-12(18)7-3-8(14)6-16-5-7/h1-6H,(H,17,18)
InChIKeyWTRUXPDYGZPHFN-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 104785444
2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride
CID 104785745
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 112695627
5-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 113287958
N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104785334
N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923
N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104786611
N-(3,4-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864937
5-fluoro-N-[4-(1-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 104786162
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 65435448
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786337

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide (CID 115694774) is N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide is O=C(Nc1ccc(Br)c(F)c1)c1cncc(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is WTRUXPDYGZPHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O/c13-10-2-1-9(4-11(10)15)17-12(18)7-3-8(14)6-16-5-7/h1-6H,(H,17,18).
What are the key properties of N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide?
N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide has a molecular weight of 313.10 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 115694774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).