3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide

C10H10Cl2F2N2O2 — CID 103082373

IUPAC3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCOCC(F)F)c1nc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2F2N2O2/c11-6-1-2-7(12)16-9(6)10(17)15-3-4-18-5-8(13)14/h1-2,8H,3-5H2,(H,15,17)
InChIKeyDFDZAAHKMJNWQG-UHFFFAOYSA-N
MW299.10 g/mol
LogP2.40
Rot. Bonds6

About 3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide

3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide (PubChem CID 103082373) has the molecular formula C10H10Cl2F2N2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide
PubChem CID103082373
Molecular FormulaC10H10Cl2F2N2O2
Molecular Weight299.10 g/mol
Exact Mass298.01
IUPAC Name3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCOCC(F)F)c1nc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2F2N2O2/c11-6-1-2-7(12)16-9(6)10(17)15-3-4-18-5-8(13)14/h1-2,8H,3-5H2,(H,15,17)
InChIKeyDFDZAAHKMJNWQG-UHFFFAOYSA-N
XLogP2.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide (CID 103082373) is 3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide is O=C(NCCOCC(F)F)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide?
The InChIKey is DFDZAAHKMJNWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F2N2O2/c11-6-1-2-7(12)16-9(6)10(17)15-3-4-18-5-8(13)14/h1-2,8H,3-5H2,(H,15,17).
What are the key properties of 3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide?
3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide has a molecular weight of 299.10 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 103082373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).