4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide

C9H10F2N2O3 — CID 171898930

IUPAC4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(F)nc1F
InChIInChI=1S/C9H10F2N2O3/c10-6-2-1-4(9(11)13-6)8(16)5(14)3-7(12)15/h1-2,5,8,14,16H,3H2,(H2,12,15)
InChIKeyQUUYRBQZFFTSCG-UHFFFAOYSA-N
MW232.19 g/mol
LogP-0.37
Rot. Bonds4

About 4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide

4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide (PubChem CID 171898930) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide
PubChem CID171898930
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(F)nc1F
InChIInChI=1S/C9H10F2N2O3/c10-6-2-1-4(9(11)13-6)8(16)5(14)3-7(12)15/h1-2,5,8,14,16H,3H2,(H2,12,15)
InChIKeyQUUYRBQZFFTSCG-UHFFFAOYSA-N
XLogP-0.37
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-0.37
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

1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol
CID 170817617
1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol
CID 171872056
3-(4-amino-1,2-dihydroxy-4-oxobutyl)-2-fluorobenzoic acid
CID 171899442
4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide
CID 171898776
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361
4-(3-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898885
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899234
2-amino-2-(2,6-difluoro-3-pyridinyl)ethanol
CID 55294647
9H-fluoren-9-ylmethyl N-[4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886389
3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
CID 171898796
3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide
CID 171898801
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-3-(trifluoromethyl)benzoic acid
CID 171900114

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide (CID 171898930) is 4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1ccc(F)nc1F.
What is the InChIKey of 4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide?
The InChIKey is QUUYRBQZFFTSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c10-6-2-1-4(9(11)13-6)8(16)5(14)3-7(12)15/h1-2,5,8,14,16H,3H2,(H2,12,15).
What are the key properties of 4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide?
4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide has a molecular weight of 232.19 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171898930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).