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

C9H10F2N2O2 — CID 105380583

IUPAC2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
SMILESO=C(NCCCO)c1ccnc(F)c1F
InChIInChI=1S/C9H10F2N2O2/c10-7-6(2-4-12-8(7)11)9(15)13-3-1-5-14/h2,4,14H,1,3,5H2,(H,13,15)
InChIKeyXLKQQUVEHBNPDZ-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.47
Rot. Bonds4

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

2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide (PubChem CID 105380583) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
PubChem CID105380583
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
SMILESO=C(NCCCO)c1ccnc(F)c1F
InChIInChI=1S/C9H10F2N2O2/c10-7-6(2-4-12-8(7)11)9(15)13-3-1-5-14/h2,4,14H,1,3,5H2,(H,13,15)
InChIKeyXLKQQUVEHBNPDZ-UHFFFAOYSA-N
XLogP0.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.47
H-Bond Donors ≤ 52
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-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 105381305
2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 105380386
2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105381092
2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 107470719
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
CID 105381610
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide
CID 107470805
N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 105381320

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide (CID 105380583) is 2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide is O=C(NCCCO)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide?
The InChIKey is XLKQQUVEHBNPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c10-7-6(2-4-12-8(7)11)9(15)13-3-1-5-14/h2,4,14H,1,3,5H2,(H,13,15).
What are the key properties of 2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide?
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide has a molecular weight of 216.19 g/mol, XLogP of 0.47, 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-hydroxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105380583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).