3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide

C10H9Cl2F3N2O2 — CID 97087483

IUPAC3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1nc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C10H9Cl2F3N2O2/c1-9(19,10(13,14)15)4-16-8(18)7-5(11)2-3-6(12)17-7/h2-3,19H,4H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyJQXDJPGMLWGBIW-VIFPVBQESA-N
MW317.09 g/mol
LogP2.43
Rot. Bonds3

About 3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide

3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide (PubChem CID 97087483) has the molecular formula C10H9Cl2F3N2O2 and a molecular weight of 317.09 g/mol. Its IUPAC name is 3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
PubChem CID97087483
Molecular FormulaC10H9Cl2F3N2O2
Molecular Weight317.09 g/mol
Exact Mass316.00
IUPAC Name3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1nc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C10H9Cl2F3N2O2/c1-9(19,10(13,14)15)4-16-8(18)7-5(11)2-3-6(12)17-7/h2-3,19H,4H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyJQXDJPGMLWGBIW-VIFPVBQESA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.09
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide (CID 97087483) is 3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide is C[C@](O)(CNC(=O)c1nc(Cl)ccc1Cl)C(F)(F)F.
What is the InChIKey of 3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide?
The InChIKey is JQXDJPGMLWGBIW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9Cl2F3N2O2/c1-9(19,10(13,14)15)4-16-8(18)7-5(11)2-3-6(12)17-7/h2-3,19H,4H2,1H3,(H,16,18)/t9-/m0/s1.
What are the key properties of 3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide?
3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide has a molecular weight of 317.09 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 97087483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).