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

C9H8F4N2O2 — CID 107470818

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(NCC(O)C(F)F)c1ccnc(F)c1F
InChIInChI=1S/C9H8F4N2O2/c10-6-4(1-2-14-8(6)13)9(17)15-3-5(16)7(11)12/h1-2,5,7,16H,3H2,(H,15,17)
InChIKeyBLDTUPWHMJJNDO-UHFFFAOYSA-N
MW252.17 g/mol
LogP0.72
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 107470818) has the molecular formula C9H8F4N2O2 and a molecular weight of 252.17 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID107470818
Molecular FormulaC9H8F4N2O2
Molecular Weight252.17 g/mol
Exact Mass252.05
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(NCC(O)C(F)F)c1ccnc(F)c1F
InChIInChI=1S/C9H8F4N2O2/c10-6-4(1-2-14-8(6)13)9(17)15-3-5(16)7(11)12/h1-2,5,7,16H,3H2,(H,15,17)
InChIKeyBLDTUPWHMJJNDO-UHFFFAOYSA-N
XLogP0.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 50.72
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-hydroxybutyl)pyridine-4-carboxamide
CID 105381305
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103770405
2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105381092
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 105381320
N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770299
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770404
N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide
CID 105381540
2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 105380386

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide (CID 107470818) is N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide is O=C(NCC(O)C(F)F)c1ccnc(F)c1F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is BLDTUPWHMJJNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O2/c10-6-4(1-2-14-8(6)13)9(17)15-3-5(16)7(11)12/h1-2,5,7,16H,3H2,(H,15,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 252.17 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 107470818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).