3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide

C13H17Cl3N2O2 — CID 66178693

IUPAC3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H17Cl3N2O2/c1-7(2)4-13(3,20)6-18-12(19)11-10(16)9(15)8(14)5-17-11/h5,7,20H,4,6H2,1-3H3,(H,18,19)
InChIKeyOQRNBILUSZIVMY-UHFFFAOYSA-N
MW339.65 g/mol
LogP3.57
Rot. Bonds5

About 3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide

3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide (PubChem CID 66178693) has the molecular formula C13H17Cl3N2O2 and a molecular weight of 339.65 g/mol. Its IUPAC name is 3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
PubChem CID66178693
Molecular FormulaC13H17Cl3N2O2
Molecular Weight339.65 g/mol
Exact Mass338.04
IUPAC Name3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H17Cl3N2O2/c1-7(2)4-13(3,20)6-18-12(19)11-10(16)9(15)8(14)5-17-11/h5,7,20H,4,6H2,1-3H3,(H,18,19)
InChIKeyOQRNBILUSZIVMY-UHFFFAOYSA-N
XLogP3.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.65
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide (CID 66178693) is 3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide is CC(C)CC(C)(O)CNC(=O)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide?
The InChIKey is OQRNBILUSZIVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl3N2O2/c1-7(2)4-13(3,20)6-18-12(19)11-10(16)9(15)8(14)5-17-11/h5,7,20H,4,6H2,1-3H3,(H,18,19).
What are the key properties of 3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide?
3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide has a molecular weight of 339.65 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide is sourced from PubChem (CID 66178693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).