N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide

C11H13FN2O4 — CID 170830162

IUPACN-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(C=O)c(F)cn1
InChIInChI=1S/C11H13FN2O4/c1-6(16)13-4-10(17)11(18)9-2-7(5-15)8(12)3-14-9/h2-3,5,10-11,17-18H,4H2,1H3,(H,13,16)
InChIKeyZFSAPXHCAPHZEU-UHFFFAOYSA-N
MW256.23 g/mol
LogP-0.44
Rot. Bonds5

About N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide

N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830162) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830162
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC NameN-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(C=O)c(F)cn1
InChIInChI=1S/C11H13FN2O4/c1-6(16)13-4-10(17)11(18)9-2-7(5-15)8(12)3-14-9/h2-3,5,10-11,17-18H,4H2,1H3,(H,13,16)
InChIKeyZFSAPXHCAPHZEU-UHFFFAOYSA-N
XLogP-0.44
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde
CID 171862138
N-[3-(3,5-difluoro-4-formylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830411
N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829944
N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831474
N-[3-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829808
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid
CID 170830150
N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide
CID 170829493
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540
N-[3-(6-formyl-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]acetamide
CID 170830804
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830125

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide (CID 170830162) is N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cc(C=O)c(F)cn1.
What is the InChIKey of N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is ZFSAPXHCAPHZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-6(16)13-4-10(17)11(18)9-2-7(5-15)8(12)3-14-9/h2-3,5,10-11,17-18H,4H2,1H3,(H,13,16).
What are the key properties of N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 256.23 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).