4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide

C10H10ClF3N2O3 — CID 171900326

IUPAC4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O3/c11-7-1-4(5(3-16-7)10(12,13)14)9(19)6(17)2-8(15)18/h1,3,6,9,17,19H,2H2,(H2,15,18)
InChIKeyZSFSEYJAZFFXIV-UHFFFAOYSA-N
MW298.65 g/mol
LogP1.02
Rot. Bonds4

About 4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide

4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide (PubChem CID 171900326) has the molecular formula C10H10ClF3N2O3 and a molecular weight of 298.65 g/mol. Its IUPAC name is 4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide
PubChem CID171900326
Molecular FormulaC10H10ClF3N2O3
Molecular Weight298.65 g/mol
Exact Mass298.03
IUPAC Name4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O3/c11-7-1-4(5(3-16-7)10(12,13)14)9(19)6(17)2-8(15)18/h1,3,6,9,17,19H,2H2,(H2,15,18)
InChIKeyZSFSEYJAZFFXIV-UHFFFAOYSA-N
XLogP1.02
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.65
LogP ≤ 51.02
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

4-(4-amino-1,2-dihydroxy-4-oxobutyl)-3-(trifluoromethyl)benzoic acid
CID 171900114
4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171899827
3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide
CID 171899581
6-chloro-5-(1,2-dihydroxy-3-sulfanylpropyl)pyridine-3-carboxylic acid
CID 170820309
4-[4-formyl-3-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900047
1-(4-amino-6-chloro-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819513
4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide
CID 171900253
4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171898698
ethyl 3-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171866757
3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide
CID 171898981
2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid
CID 133094666
ethyl 4-[4-formyl-2-(trifluoromethyl)phenyl]-3,4-dihydroxybutanoate
CID 171898254

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide?
The IUPAC name of 4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide (CID 171900326) is 4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide?
The canonical SMILES for 4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1cc(Cl)ncc1C(F)(F)F.
What is the InChIKey of 4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide?
The InChIKey is ZSFSEYJAZFFXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O3/c11-7-1-4(5(3-16-7)10(12,13)14)9(19)6(17)2-8(15)18/h1,3,6,9,17,19H,2H2,(H2,15,18).
What are the key properties of 4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide?
4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide has a molecular weight of 298.65 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide is sourced from PubChem (CID 171900326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).