2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide

C9H9BrCl2N2O — CID 86089298

IUPAC2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide
SMILESCCC(Br)C(=O)Nc1cnc(Cl)cc1Cl
InChIInChI=1S/C9H9BrCl2N2O/c1-2-5(10)9(15)14-7-4-13-8(12)3-6(7)11/h3-5H,2H2,1H3,(H,14,15)
InChIKeyHAYMNKJDIGVMON-UHFFFAOYSA-N
MW311.99 g/mol
LogP3.50
Rot. Bonds3

About 2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide

2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide (PubChem CID 86089298) has the molecular formula C9H9BrCl2N2O and a molecular weight of 311.99 g/mol. Its IUPAC name is 2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide
PubChem CID86089298
Molecular FormulaC9H9BrCl2N2O
Molecular Weight311.99 g/mol
Exact Mass309.93
IUPAC Name2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide
SMILESCCC(Br)C(=O)Nc1cnc(Cl)cc1Cl
InChIInChI=1S/C9H9BrCl2N2O/c1-2-5(10)9(15)14-7-4-13-8(12)3-6(7)11/h3-5H,2H2,1H3,(H,14,15)
InChIKeyHAYMNKJDIGVMON-UHFFFAOYSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.99
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide
CID 118608605
N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 130163146
2-bromo-N-(2-chloro-4-nitrophenyl)butanamide
CID 62856327
2-bromo-N-(4-chloro-2-iodophenyl)butanamide
CID 107624936
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
2-bromo-N-(5-chloro-2-cyanophenyl)butanamide
CID 60723141
N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide
CID 114256408
2-bromo-N-(2,5-dibromophenyl)butanamide
CID 62856561
3-(2-bromobutanoylamino)-4-hydroxybenzoic acid
CID 108730255
(2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide
CID 92864164
2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 55126113

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide?
The IUPAC name of 2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide (CID 86089298) is 2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide.
What is the SMILES notation for 2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide?
The canonical SMILES for 2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide is CCC(Br)C(=O)Nc1cnc(Cl)cc1Cl.
What is the InChIKey of 2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide?
The InChIKey is HAYMNKJDIGVMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2N2O/c1-2-5(10)9(15)14-7-4-13-8(12)3-6(7)11/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide?
2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide has a molecular weight of 311.99 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide is sourced from PubChem (CID 86089298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).