(2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone

C12H8Br2N2O — CID 12939592

IUPAC(2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone
SMILESNc1c(Br)cc(Br)cc1C(=O)c1ccccn1
InChIInChI=1S/C12H8Br2N2O/c13-7-5-8(11(15)9(14)6-7)12(17)10-3-1-2-4-16-10/h1-6H,15H2
InChIKeyQNIJXRIQNRCDDN-UHFFFAOYSA-N
MW356.02 g/mol
LogP3.42
Rot. Bonds2

About (2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone

(2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone (PubChem CID 12939592) has the molecular formula C12H8Br2N2O and a molecular weight of 356.02 g/mol. Its IUPAC name is (2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone
PubChem CID12939592
Molecular FormulaC12H8Br2N2O
Molecular Weight356.02 g/mol
Exact Mass353.90
IUPAC Name(2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone
SMILESNc1c(Br)cc(Br)cc1C(=O)c1ccccn1
InChIInChI=1S/C12H8Br2N2O/c13-7-5-8(11(15)9(14)6-7)12(17)10-3-1-2-4-16-10/h1-6H,15H2
InChIKeyQNIJXRIQNRCDDN-UHFFFAOYSA-N
XLogP3.42
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.02
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080
(2-amino-3-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118841909
[5-bromo-2-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 134617165
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone
CID 118836322
(5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone
CID 168512036
3-bromobenzohydrazide;dipyridin-2-ylmethanone
CID 118467850
2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide
CID 158180443
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
2-amino-3,5-dibromo-N-hydroxybenzamide
CID 13097908
(2-amino-4-nitrophenyl)-pyridin-2-ylmethanone
CID 118836157
2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide
CID 54547722

Frequently Asked Questions

What is the IUPAC name of (2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone?
The IUPAC name of (2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone (CID 12939592) is (2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone?
The canonical SMILES for (2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone is Nc1c(Br)cc(Br)cc1C(=O)c1ccccn1.
What is the InChIKey of (2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone?
The InChIKey is QNIJXRIQNRCDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O/c13-7-5-8(11(15)9(14)6-7)12(17)10-3-1-2-4-16-10/h1-6H,15H2.
What are the key properties of (2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone?
(2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone has a molecular weight of 356.02 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 12939592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).