(4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone

C12H8BrFN2O — CID 82809025

IUPAC(4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone
SMILESNc1ccncc1C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H8BrFN2O/c13-9-5-7(1-2-10(9)14)12(17)8-6-16-4-3-11(8)15/h1-6H,(H2,15,16)
InChIKeyAKKQQWQQLPDXOO-UHFFFAOYSA-N
MW295.11 g/mol
LogP2.80
Rot. Bonds2

About (4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone

(4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone (PubChem CID 82809025) has the molecular formula C12H8BrFN2O and a molecular weight of 295.11 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone
PubChem CID82809025
Molecular FormulaC12H8BrFN2O
Molecular Weight295.11 g/mol
Exact Mass293.98
IUPAC Name(4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone
SMILESNc1ccncc1C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H8BrFN2O/c13-9-5-7(1-2-10(9)14)12(17)8-6-16-4-3-11(8)15/h1-6H,(H2,15,16)
InChIKeyAKKQQWQQLPDXOO-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

(4-amino-3-pyridinyl)-(4-fluorophenyl)methanone
CID 11074797
(4-aminophenyl)-(4-amino-3-pyridinyl)methanone
CID 116548721
(4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone
CID 114329651
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
1-(3-bromo-4-fluorophenyl)-3-pyridin-4-ylpropane-1,3-dione
CID 55130699
(3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone
CID 82809772
[4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone
CID 116548154
(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709294
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 107616547
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
CID 82808642
3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile
CID 59327522
4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide
CID 81245018

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone (CID 82809025) is (4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone is Nc1ccncc1C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of (4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone?
The InChIKey is AKKQQWQQLPDXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O/c13-9-5-7(1-2-10(9)14)12(17)8-6-16-4-3-11(8)15/h1-6H,(H2,15,16).
What are the key properties of (4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone?
(4-amino-3-pyridinyl)-(3-bromo-4-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 (4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone is sourced from PubChem (CID 82809025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).