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

C10H12F2N2O2 — CID 105381305

IUPAC2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
SMILESCC(O)CCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C10H12F2N2O2/c1-6(15)2-4-14-10(16)7-3-5-13-9(12)8(7)11/h3,5-6,15H,2,4H2,1H3,(H,14,16)
InChIKeyGYDZIGSDHVJSFP-UHFFFAOYSA-N
MW230.21 g/mol
LogP0.86
Rot. Bonds4

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

2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide (PubChem CID 105381305) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
PubChem CID105381305
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
SMILESCC(O)CCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C10H12F2N2O2/c1-6(15)2-4-14-10(16)7-3-5-13-9(12)8(7)11/h3,5-6,15H,2,4H2,1H3,(H,14,16)
InChIKeyGYDZIGSDHVJSFP-UHFFFAOYSA-N
XLogP0.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
CID 105381610
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 107470719
2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105381092
N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide
CID 107470818
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 105380386
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide (CID 105381305) is 2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide is CC(O)CCNC(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide?
The InChIKey is GYDZIGSDHVJSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-6(15)2-4-14-10(16)7-3-5-13-9(12)8(7)11/h3,5-6,15H,2,4H2,1H3,(H,14,16).
What are the key properties of 2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide?
2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide has a molecular weight of 230.21 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide is sourced from PubChem (CID 105381305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).