2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide

C13H13FN2O2S — CID 111451765

IUPAC2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
SMILESCC(O)(CNC(=O)c1ccnc(F)c1)c1ccsc1
InChIInChI=1S/C13H13FN2O2S/c1-13(18,10-3-5-19-7-10)8-16-12(17)9-2-4-15-11(14)6-9/h2-7,18H,8H2,1H3,(H,16,17)
InChIKeyKVYMPSNUFVPATC-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.92
Rot. Bonds4

About 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide

2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide (PubChem CID 111451765) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
PubChem CID111451765
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
SMILESCC(O)(CNC(=O)c1ccnc(F)c1)c1ccsc1
InChIInChI=1S/C13H13FN2O2S/c1-13(18,10-3-5-19-7-10)8-16-12(17)9-2-4-15-11(14)6-9/h2-7,18H,8H2,1H3,(H,16,17)
InChIKeyKVYMPSNUFVPATC-UHFFFAOYSA-N
XLogP1.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide
CID 111452010
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide
CID 111452131
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide
CID 111479066
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoropyridine-4-carboxamide
CID 103840043
2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451668
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452036

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide (CID 111451765) is 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide is CC(O)(CNC(=O)c1ccnc(F)c1)c1ccsc1.
What is the InChIKey of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide?
The InChIKey is KVYMPSNUFVPATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-13(18,10-3-5-19-7-10)8-16-12(17)9-2-4-15-11(14)6-9/h2-7,18H,8H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide?
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 111451765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).