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

C12H7BrClFN2O — CID 66425614

IUPAC(2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone
SMILESNc1ncc(Cl)cc1C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H7BrClFN2O/c13-7-1-6(2-9(15)3-7)11(18)10-4-8(14)5-17-12(10)16/h1-5H,(H2,16,17)
InChIKeyTUGUTRUWBTZUMF-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.45
Rot. Bonds2

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

(2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone (PubChem CID 66425614) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone
PubChem CID66425614
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone
SMILESNc1ncc(Cl)cc1C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H7BrClFN2O/c13-7-1-6(2-9(15)3-7)11(18)10-4-8(14)5-17-12(10)16/h1-5H,(H2,16,17)
InChIKeyTUGUTRUWBTZUMF-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

(2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone
CID 107923818
(2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 81492506
(2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
CID 116591815
(4-amino-2-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
CID 112736179
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
CID 112574914
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43248312
(2-amino-5-chloro-3-pyridinyl)-(3-chloro-2-fluorophenyl)methanone
CID 64712250
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 66423624
(3-bromo-5-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512642
(3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone
CID 107944439
(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43248240
(3-bromo-5-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793362

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone (CID 66425614) is (2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone is Nc1ncc(Cl)cc1C(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone?
The InChIKey is TUGUTRUWBTZUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-7-1-6(2-9(15)3-7)11(18)10-4-8(14)5-17-12(10)16/h1-5H,(H2,16,17).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone?
(2-amino-5-chloro-3-pyridinyl)-(3-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)-(3-bromo-5-fluorophenyl)methanone is sourced from PubChem (CID 66425614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).