(2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone

C12H9BrClN3O — CID 116591815

IUPAC(2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
SMILESNc1cc(Br)ccc1C(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C12H9BrClN3O/c13-6-1-2-8(10(15)3-6)11(18)9-4-7(14)5-17-12(9)16/h1-5H,15H2,(H2,16,17)
InChIKeyIARKVKPMFWWSGY-UHFFFAOYSA-N
MW326.58 g/mol
LogP2.89
Rot. Bonds2

About (2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone

(2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone (PubChem CID 116591815) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is (2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
PubChem CID116591815
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name(2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
SMILESNc1cc(Br)ccc1C(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C12H9BrClN3O/c13-6-1-2-8(10(15)3-6)11(18)9-4-7(14)5-17-12(9)16/h1-5H,15H2,(H2,16,17)
InChIKeyIARKVKPMFWWSGY-UHFFFAOYSA-N
XLogP2.89
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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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)-(2-bromo-5-fluorophenyl)methanone
CID 107923818
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone
CID 66425614
(2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 81492506
(2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
CID 103083607
(2-amino-4-bromophenyl)-(3-chlorophenyl)methanone
CID 116591876
(2-amino-5-chloro-3-pyridinyl)-(3-chloro-2-fluorophenyl)methanone
CID 64712250
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
CID 112574914
(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 65195804
(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114736998

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone?
The IUPAC name of (2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone (CID 116591815) is (2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone.
What is the SMILES notation for (2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone?
The canonical SMILES for (2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone is Nc1cc(Br)ccc1C(=O)c1cc(Cl)cnc1N.
What is the InChIKey of (2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone?
The InChIKey is IARKVKPMFWWSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-6-1-2-8(10(15)3-6)11(18)9-4-7(14)5-17-12(9)16/h1-5H,15H2,(H2,16,17).
What are the key properties of (2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone?
(2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone has a molecular weight of 326.58 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone is sourced from PubChem (CID 116591815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).