3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide

C10H11F3N2O3 — CID 171899581

IUPAC3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide
SMILESNC(=O)CC(O)C(O)c1ncccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)5-2-1-3-15-8(5)9(18)6(16)4-7(14)17/h1-3,6,9,16,18H,4H2,(H2,14,17)
InChIKeyYYGNRJDXYJFGLB-UHFFFAOYSA-N
MW264.20 g/mol
LogP0.37
Rot. Bonds4

About 3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide

3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide (PubChem CID 171899581) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide
PubChem CID171899581
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide
SMILESNC(=O)CC(O)C(O)c1ncccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)5-2-1-3-15-8(5)9(18)6(16)4-7(14)17/h1-3,6,9,16,18H,4H2,(H2,14,17)
InChIKeyYYGNRJDXYJFGLB-UHFFFAOYSA-N
XLogP0.37
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide
CID 171898678
tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate
CID 125456376
(2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol
CID 131168070
4-(3-amino-4-methyl-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898847
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
(2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 125457933
2-cyclopropyl-2-[3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 175669164
4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171899827
4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide
CID 171900326
(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 131017310
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-3-(trifluoromethyl)benzoic acid
CID 171900114
(3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide
CID 140609961

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide?
The IUPAC name of 3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide (CID 171899581) is 3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide?
The canonical SMILES for 3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide is NC(=O)CC(O)C(O)c1ncccc1C(F)(F)F.
What is the InChIKey of 3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide?
The InChIKey is YYGNRJDXYJFGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)5-2-1-3-15-8(5)9(18)6(16)4-7(14)17/h1-3,6,9,16,18H,4H2,(H2,14,17).
What are the key properties of 3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide?
3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide has a molecular weight of 264.20 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 3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide is sourced from PubChem (CID 171899581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).