(3-amino-5-bromophenyl)-pyridin-3-ylmethanone

C12H9BrN2O — CID 50994432

IUPAC(3-amino-5-bromophenyl)-pyridin-3-ylmethanone
SMILESNc1cc(Br)cc(C(=O)c2cccnc2)c1
InChIInChI=1S/C12H9BrN2O/c13-10-4-9(5-11(14)6-10)12(16)8-2-1-3-15-7-8/h1-7H,14H2
InChIKeyGHRWIFIQPYSOLC-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.66
Rot. Bonds2

About (3-amino-5-bromophenyl)-pyridin-3-ylmethanone

(3-amino-5-bromophenyl)-pyridin-3-ylmethanone (PubChem CID 50994432) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is (3-amino-5-bromophenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-amino-5-bromophenyl)-pyridin-3-ylmethanone
PubChem CID50994432
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name(3-amino-5-bromophenyl)-pyridin-3-ylmethanone
SMILESNc1cc(Br)cc(C(=O)c2cccnc2)c1
InChIInChI=1S/C12H9BrN2O/c13-10-4-9(5-11(14)6-10)12(16)8-2-1-3-15-7-8/h1-7H,14H2
InChIKeyGHRWIFIQPYSOLC-UHFFFAOYSA-N
XLogP2.66
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
[3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621771
(2,5-dibromophenyl)-pyridin-3-ylmethanone
CID 112694374
(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone
CID 86696896
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone
CID 116597103
(3,5-dibromophenyl)-pyridin-4-ylmethanone
CID 19711365
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
benzene;pyridine-3-carboxamide
CID 66766032

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromophenyl)-pyridin-3-ylmethanone?
The IUPAC name of (3-amino-5-bromophenyl)-pyridin-3-ylmethanone (CID 50994432) is (3-amino-5-bromophenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-amino-5-bromophenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-amino-5-bromophenyl)-pyridin-3-ylmethanone is Nc1cc(Br)cc(C(=O)c2cccnc2)c1.
What is the InChIKey of (3-amino-5-bromophenyl)-pyridin-3-ylmethanone?
The InChIKey is GHRWIFIQPYSOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-10-4-9(5-11(14)6-10)12(16)8-2-1-3-15-7-8/h1-7H,14H2.
What are the key properties of (3-amino-5-bromophenyl)-pyridin-3-ylmethanone?
(3-amino-5-bromophenyl)-pyridin-3-ylmethanone has a molecular weight of 277.12 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromophenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 50994432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).