N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide

C11H15ClN2O3 — CID 171882517

IUPACN-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2O3/c1-7(15)13-6-5-9(16)11(17)8-3-2-4-10(12)14-8/h2-4,9,11,16-17H,5-6H2,1H3,(H,13,15)
InChIKeyIXSLCJPEXYMASY-UHFFFAOYSA-N
MW258.70 g/mol
LogP0.66
Rot. Bonds5

About N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide

N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171882517) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
PubChem CID171882517
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC NameN-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2O3/c1-7(15)13-6-5-9(16)11(17)8-3-2-4-10(12)14-8/h2-4,9,11,16-17H,5-6H2,1H3,(H,13,15)
InChIKeyIXSLCJPEXYMASY-UHFFFAOYSA-N
XLogP0.66
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875352
1-(6-chloro-2-pyridinyl)propane-1,2,3-triol
CID 170817344
3-(4-acetamido-1,2-dihydroxybutyl)-6-chloropyridine-2-carboxylic acid
CID 171883472
N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882758
N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882639
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
benzyl N-[4-(6-acetyl-2-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171888546
tert-butyl N-[4-(6-formyl-2-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884624
N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882686
N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883001
N-[4-(2,4-dichloropyrimidin-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171882730
1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol
CID 89314650

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide (CID 171882517) is N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1cccc(Cl)n1.
What is the InChIKey of N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is IXSLCJPEXYMASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-7(15)13-6-5-9(16)11(17)8-3-2-4-10(12)14-8/h2-4,9,11,16-17H,5-6H2,1H3,(H,13,15).
What are the key properties of N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide?
N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 258.70 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171882517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).