3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide

C12H15Cl3N2O2 — CID 61245347

IUPAC3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H15Cl3N2O2/c1-6(2)3-7(5-18)17-12(19)11-10(15)9(14)8(13)4-16-11/h4,6-7,18H,3,5H2,1-2H3,(H,17,19)
InChIKeyRHXQQCQGGVMZBT-UHFFFAOYSA-N
MW325.62 g/mol
LogP3.18
Rot. Bonds5

About 3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide

3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide (PubChem CID 61245347) has the molecular formula C12H15Cl3N2O2 and a molecular weight of 325.62 g/mol. Its IUPAC name is 3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide
PubChem CID61245347
Molecular FormulaC12H15Cl3N2O2
Molecular Weight325.62 g/mol
Exact Mass324.02
IUPAC Name3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H15Cl3N2O2/c1-6(2)3-7(5-18)17-12(19)11-10(15)9(14)8(13)4-16-11/h4,6-7,18H,3,5H2,1-2H3,(H,17,19)
InChIKeyRHXQQCQGGVMZBT-UHFFFAOYSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 53.18
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-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide (CID 61245347) is 3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide is CC(C)CC(CO)NC(=O)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide?
The InChIKey is RHXQQCQGGVMZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O2/c1-6(2)3-7(5-18)17-12(19)11-10(15)9(14)8(13)4-16-11/h4,6-7,18H,3,5H2,1-2H3,(H,17,19).
What are the key properties of 3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide?
3,4,5-trichloro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide has a molecular weight of 325.62 g/mol, XLogP of 3.18, 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-(1-hydroxy-4-methylpentan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 61245347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).