(5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone

C12H8BrFN2O — CID 116605258

IUPAC(5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2cc(Br)ccc2F)nc1
InChIInChI=1S/C12H8BrFN2O/c13-7-1-3-10(14)9(5-7)12(17)11-4-2-8(15)6-16-11/h1-6H,15H2
InChIKeyZNJHHHXLCFHEBJ-UHFFFAOYSA-N
MW295.11 g/mol
LogP2.80
Rot. Bonds2

About (5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone

(5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone (PubChem CID 116605258) has the molecular formula C12H8BrFN2O and a molecular weight of 295.11 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone
PubChem CID116605258
Molecular FormulaC12H8BrFN2O
Molecular Weight295.11 g/mol
Exact Mass293.98
IUPAC Name(5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2cc(Br)ccc2F)nc1
InChIInChI=1S/C12H8BrFN2O/c13-7-1-3-10(14)9(5-7)12(17)11-4-2-8(15)6-16-11/h1-6H,15H2
InChIKeyZNJHHHXLCFHEBJ-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

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Related Compounds

(5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone
CID 116605357
(5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone
CID 106647263
(5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone
CID 79742364
(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone
CID 116605281
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide
CID 112555441
[5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone
CID 23028700
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(3-bromo-4-fluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 81316508
(5-amino-2-pyridinyl)-(2-methylphenyl)methanone
CID 116605299
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone (CID 116605258) is (5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone is Nc1ccc(C(=O)c2cc(Br)ccc2F)nc1.
What is the InChIKey of (5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone?
The InChIKey is ZNJHHHXLCFHEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O/c13-7-1-3-10(14)9(5-7)12(17)11-4-2-8(15)6-16-11/h1-6H,15H2.
What are the key properties of (5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone?
(5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)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-pyridinyl)-(5-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 116605258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).