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

C12H7BrClFN2O — CID 107923818

IUPAC(2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone
SMILESNc1ncc(Cl)cc1C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C12H7BrClFN2O/c13-10-2-1-7(15)4-8(10)11(18)9-3-6(14)5-17-12(9)16/h1-5H,(H2,16,17)
InChIKeyZYSHSHPZTGKPHU-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.45
Rot. Bonds2

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

(2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone (PubChem CID 107923818) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone
PubChem CID107923818
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone
SMILESNc1ncc(Cl)cc1C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C12H7BrClFN2O/c13-10-2-1-7(15)4-8(10)11(18)9-3-6(14)5-17-12(9)16/h1-5H,(H2,16,17)
InChIKeyZYSHSHPZTGKPHU-UHFFFAOYSA-N
XLogP3.45
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-2-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
CID 112736179
(2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone
CID 66425614
(2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
CID 116591815
(2-amino-5-chloro-3-pyridinyl)-(3-chloro-2-fluorophenyl)methanone
CID 64712250
(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
CID 114963342
(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915
(2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 81492506
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
CID 112574914
(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971661
(2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone
CID 104891089
(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone
CID 105394203
2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide
CID 175314264

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone (CID 107923818) is (2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone is Nc1ncc(Cl)cc1C(=O)c1cc(F)ccc1Br.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone?
The InChIKey is ZYSHSHPZTGKPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-10-2-1-7(15)4-8(10)11(18)9-3-6(14)5-17-12(9)16/h1-5H,(H2,16,17).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone?
(2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone has a molecular weight of 329.56 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone is sourced from PubChem (CID 107923818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).