2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide

C9H10F2N2O2 — CID 105380129

IUPAC2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C9H10F2N2O2/c1-15-5-4-13-9(14)6-2-3-12-8(11)7(6)10/h2-3H,4-5H2,1H3,(H,13,14)
InChIKeyZCOFMHSTXKGYNE-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.74
Rot. Bonds4

About 2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide

2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide (PubChem CID 105380129) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
PubChem CID105380129
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C9H10F2N2O2/c1-15-5-4-13-9(14)6-2-3-12-8(11)7(6)10/h2-3H,4-5H2,1H3,(H,13,14)
InChIKeyZCOFMHSTXKGYNE-UHFFFAOYSA-N
XLogP0.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.74
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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Related Compounds

N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 107470719
2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 105381305
2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105381092
2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 105380806
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 105380386
2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712
2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
CID 105381610
2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
CID 105385379

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide (CID 105380129) is 2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide is COCCNC(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide?
The InChIKey is ZCOFMHSTXKGYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-15-5-4-13-9(14)6-2-3-12-8(11)7(6)10/h2-3H,4-5H2,1H3,(H,13,14).
What are the key properties of 2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide?
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide has a molecular weight of 216.19 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105380129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).