3-(5-bromo-3-pyridinyl)-2-chloropropanamide

C8H8BrClN2O — CID 130486994

IUPAC3-(5-bromo-3-pyridinyl)-2-chloropropanamide
SMILESNC(=O)C(Cl)Cc1cncc(Br)c1
InChIInChI=1S/C8H8BrClN2O/c9-6-1-5(3-12-4-6)2-7(10)8(11)13/h1,3-4,7H,2H2,(H2,11,13)
InChIKeyUUBWLWVYRDCOKJ-UHFFFAOYSA-N
MW263.52 g/mol
LogP1.48
Rot. Bonds3

About 3-(5-bromo-3-pyridinyl)-2-chloropropanamide

3-(5-bromo-3-pyridinyl)-2-chloropropanamide (PubChem CID 130486994) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-2-chloropropanamide.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-2-chloropropanamide
PubChem CID130486994
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC Name3-(5-bromo-3-pyridinyl)-2-chloropropanamide
SMILESNC(=O)C(Cl)Cc1cncc(Br)c1
InChIInChI=1S/C8H8BrClN2O/c9-6-1-5(3-12-4-6)2-7(10)8(11)13/h1,3-4,7H,2H2,(H2,11,13)
InChIKeyUUBWLWVYRDCOKJ-UHFFFAOYSA-N
XLogP1.48
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid
CID 124595657
3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide
CID 161130883
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
2-chloro-3-(2,4,6-tribromophenyl)propanamide
CID 104513227
4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol
CID 104802664
2-[(4-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propanoic acid
CID 104800586
3-(5-bromo-3-pyridinyl)-1,1-dimethoxypropan-2-ol
CID 104800369
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-2-chloropropanamide?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-2-chloropropanamide (CID 130486994) is 3-(5-bromo-3-pyridinyl)-2-chloropropanamide.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-2-chloropropanamide?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-2-chloropropanamide is NC(=O)C(Cl)Cc1cncc(Br)c1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-2-chloropropanamide?
The InChIKey is UUBWLWVYRDCOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c9-6-1-5(3-12-4-6)2-7(10)8(11)13/h1,3-4,7H,2H2,(H2,11,13).
What are the key properties of 3-(5-bromo-3-pyridinyl)-2-chloropropanamide?
3-(5-bromo-3-pyridinyl)-2-chloropropanamide has a molecular weight of 263.52 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-2-chloropropanamide is sourced from PubChem (CID 130486994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).