(5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone

C12H8BrFN2O — CID 106647263

IUPAC(5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2cccc(Br)c2F)nc1
InChIInChI=1S/C12H8BrFN2O/c13-9-3-1-2-8(11(9)14)12(17)10-5-4-7(15)6-16-10/h1-6H,15H2
InChIKeyGLHDVQZLYZJHFV-UHFFFAOYSA-N
MW295.11 g/mol
LogP2.80
Rot. Bonds2

About (5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone

(5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone (PubChem CID 106647263) has the molecular formula C12H8BrFN2O and a molecular weight of 295.11 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone
PubChem CID106647263
Molecular FormulaC12H8BrFN2O
Molecular Weight295.11 g/mol
Exact Mass293.98
IUPAC Name(5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2cccc(Br)c2F)nc1
InChIInChI=1S/C12H8BrFN2O/c13-9-3-1-2-8(11(9)14)12(17)10-5-4-7(15)6-16-10/h1-6H,15H2
InChIKeyGLHDVQZLYZJHFV-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

N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948735
(5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone
CID 116605258
(5-amino-2-pyridinyl)-(2-methylphenyl)methanone
CID 116605299
(5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone
CID 106644828
(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
CID 114020550
(5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone
CID 116605357
(4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone
CID 106647258
(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone
CID 106647314
(5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone
CID 116605172
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(5-amino-2-pyridinyl)-(1H-indol-3-yl)methanone
CID 112742464
(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
CID 106647496

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone (CID 106647263) is (5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone is Nc1ccc(C(=O)c2cccc(Br)c2F)nc1.
What is the InChIKey of (5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone?
The InChIKey is GLHDVQZLYZJHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O/c13-9-3-1-2-8(11(9)14)12(17)10-5-4-7(15)6-16-10/h1-6H,15H2.
What are the key properties of (5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone?
(5-amino-2-pyridinyl)-(3-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)-(3-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 106647263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).