4-bromo-N-(6-bromo-2-pyridinyl)butanamide

C9H10Br2N2O — CID 134366786

IUPAC4-bromo-N-(6-bromo-2-pyridinyl)butanamide
SMILESO=C(CCCBr)Nc1cccc(Br)n1
InChIInChI=1S/C9H10Br2N2O/c10-6-2-5-9(14)13-8-4-1-3-7(11)12-8/h1,3-4H,2,5-6H2,(H,12,13,14)
InChIKeyJYRNKSDKGDVYCI-UHFFFAOYSA-N
MW322.00 g/mol
LogP2.96
Rot. Bonds4

About 4-bromo-N-(6-bromo-2-pyridinyl)butanamide

4-bromo-N-(6-bromo-2-pyridinyl)butanamide (PubChem CID 134366786) has the molecular formula C9H10Br2N2O and a molecular weight of 322.00 g/mol. Its IUPAC name is 4-bromo-N-(6-bromo-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-bromo-N-(6-bromo-2-pyridinyl)butanamide
PubChem CID134366786
Molecular FormulaC9H10Br2N2O
Molecular Weight322.00 g/mol
Exact Mass319.92
IUPAC Name4-bromo-N-(6-bromo-2-pyridinyl)butanamide
SMILESO=C(CCCBr)Nc1cccc(Br)n1
InChIInChI=1S/C9H10Br2N2O/c10-6-2-5-9(14)13-8-4-1-3-7(11)12-8/h1,3-4H,2,5-6H2,(H,12,13,14)
InChIKeyJYRNKSDKGDVYCI-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 52.96
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

4-bromo-N-(6-bromo-2-pyridinyl)butanamide;1-(6-bromo-2-pyridinyl)pyrrolidin-2-one
CID 161365871
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
N-(6-bromo-2-pyridinyl)but-3-enamide
CID 62677588
N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 130299737
N-(6-bromo-2-pyridinyl)-3-propoxypropanamide
CID 62717521
N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane
CID 142496162
N-(6-bromo-2-pyridinyl)-4-butylcyclohexane-1-carboxamide
CID 43520432
N-(6-bromo-2-pyridinyl)benzamide
CID 43520453
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide
CID 130161849
N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 43520523

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-bromo-2-pyridinyl)butanamide?
The IUPAC name of 4-bromo-N-(6-bromo-2-pyridinyl)butanamide (CID 134366786) is 4-bromo-N-(6-bromo-2-pyridinyl)butanamide.
What is the SMILES notation for 4-bromo-N-(6-bromo-2-pyridinyl)butanamide?
The canonical SMILES for 4-bromo-N-(6-bromo-2-pyridinyl)butanamide is O=C(CCCBr)Nc1cccc(Br)n1.
What is the InChIKey of 4-bromo-N-(6-bromo-2-pyridinyl)butanamide?
The InChIKey is JYRNKSDKGDVYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2O/c10-6-2-5-9(14)13-8-4-1-3-7(11)12-8/h1,3-4H,2,5-6H2,(H,12,13,14).
What are the key properties of 4-bromo-N-(6-bromo-2-pyridinyl)butanamide?
4-bromo-N-(6-bromo-2-pyridinyl)butanamide has a molecular weight of 322.00 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-bromo-2-pyridinyl)butanamide is sourced from PubChem (CID 134366786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).