2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid

C10H10F3IN2O3 — CID 122060768

IUPAC2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
SMILESCC(O)(CNc1nc(C(F)(F)F)ccc1I)C(=O)O
InChIInChI=1S/C10H10F3IN2O3/c1-9(19,8(17)18)4-15-7-5(14)2-3-6(16-7)10(11,12)13/h2-3,19H,4H2,1H3,(H,15,16)(H,17,18)
InChIKeyNTHSQTDMUKBUCQ-UHFFFAOYSA-N
MW390.10 g/mol
LogP1.95
Rot. Bonds4

About 2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid

2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid (PubChem CID 122060768) has the molecular formula C10H10F3IN2O3 and a molecular weight of 390.10 g/mol. Its IUPAC name is 2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
PubChem CID122060768
Molecular FormulaC10H10F3IN2O3
Molecular Weight390.10 g/mol
Exact Mass389.97
IUPAC Name2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
SMILESCC(O)(CNc1nc(C(F)(F)F)ccc1I)C(=O)O
InChIInChI=1S/C10H10F3IN2O3/c1-9(19,8(17)18)4-15-7-5(14)2-3-6(16-7)10(11,12)13/h2-3,19H,4H2,1H3,(H,15,16)(H,17,18)
InChIKeyNTHSQTDMUKBUCQ-UHFFFAOYSA-N
XLogP1.95
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid (CID 122060768) is 2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid is CC(O)(CNc1nc(C(F)(F)F)ccc1I)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid?
The InChIKey is NTHSQTDMUKBUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IN2O3/c1-9(19,8(17)18)4-15-7-5(14)2-3-6(16-7)10(11,12)13/h2-3,19H,4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid?
2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid has a molecular weight of 390.10 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 122060768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).