(5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone

C12H8BrFN2O — CID 116602928

IUPAC(5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone
SMILESNc1ccc(Br)c(C(=O)c2cncc(F)c2)c1
InChIInChI=1S/C12H8BrFN2O/c13-11-2-1-9(15)4-10(11)12(17)7-3-8(14)6-16-5-7/h1-6H,15H2
InChIKeyJMWXHAMRGVOLNL-UHFFFAOYSA-N
MW295.11 g/mol
LogP2.80
Rot. Bonds2

About (5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone

(5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone (PubChem CID 116602928) has the molecular formula C12H8BrFN2O and a molecular weight of 295.11 g/mol. Its IUPAC name is (5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone
PubChem CID116602928
Molecular FormulaC12H8BrFN2O
Molecular Weight295.11 g/mol
Exact Mass293.98
IUPAC Name(5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone
SMILESNc1ccc(Br)c(C(=O)c2cncc(F)c2)c1
InChIInChI=1S/C12H8BrFN2O/c13-11-2-1-9(15)4-10(11)12(17)7-3-8(14)6-16-5-7/h1-6H,15H2
InChIKeyJMWXHAMRGVOLNL-UHFFFAOYSA-N
XLogP2.80
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone
CID 114963527
(3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone
CID 82809772
(5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone
CID 65360874
(5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291120
N-(5-amino-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 104785368
2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105090104
(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 114963550
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105081902
(2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone
CID 105134655

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of (5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone (CID 116602928) is (5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone is Nc1ccc(Br)c(C(=O)c2cncc(F)c2)c1.
What is the InChIKey of (5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is JMWXHAMRGVOLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O/c13-11-2-1-9(15)4-10(11)12(17)7-3-8(14)6-16-5-7/h1-6H,15H2.
What are the key properties of (5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone?
(5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 295.11 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 116602928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).