3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide

C10H9Cl3F2N2O2 — CID 107482488

IUPAC3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESO=C(c1ncc(Cl)c(Cl)c1Cl)N(CCO)CC(F)F
InChIInChI=1S/C10H9Cl3F2N2O2/c11-5-3-16-9(8(13)7(5)12)10(19)17(1-2-18)4-6(14)15/h3,6,18H,1-2,4H2
InChIKeyYLWGOSADVPVRGT-UHFFFAOYSA-N
MW333.55 g/mol
LogP2.74
Rot. Bonds5

About 3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide

3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 107482488) has the molecular formula C10H9Cl3F2N2O2 and a molecular weight of 333.55 g/mol. Its IUPAC name is 3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID107482488
Molecular FormulaC10H9Cl3F2N2O2
Molecular Weight333.55 g/mol
Exact Mass331.97
IUPAC Name3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESO=C(c1ncc(Cl)c(Cl)c1Cl)N(CCO)CC(F)F
InChIInChI=1S/C10H9Cl3F2N2O2/c11-5-3-16-9(8(13)7(5)12)10(19)17(1-2-18)4-6(14)15/h3,6,18H,1-2,4H2
InChIKeyYLWGOSADVPVRGT-UHFFFAOYSA-N
XLogP2.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide (CID 107482488) is 3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide is O=C(c1ncc(Cl)c(Cl)c1Cl)N(CCO)CC(F)F.
What is the InChIKey of 3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is YLWGOSADVPVRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3F2N2O2/c11-5-3-16-9(8(13)7(5)12)10(19)17(1-2-18)4-6(14)15/h3,6,18H,1-2,4H2.
What are the key properties of 3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide?
3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 333.55 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107482488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).