6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide

C9H11FN2O2 — CID 63980450

IUPAC6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESCC(O)CNC(=O)c1ccc(F)nc1
InChIInChI=1S/C9H11FN2O2/c1-6(13)4-12-9(14)7-2-3-8(10)11-5-7/h2-3,5-6,13H,4H2,1H3,(H,12,14)
InChIKeyNDRIBJBPEGRGRH-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.33
Rot. Bonds3

About 6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide

6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 63980450) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
PubChem CID63980450
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESCC(O)CNC(=O)c1ccc(F)nc1
InChIInChI=1S/C9H11FN2O2/c1-6(13)4-12-9(14)7-2-3-8(10)11-5-7/h2-3,5-6,13H,4H2,1H3,(H,12,14)
InChIKeyNDRIBJBPEGRGRH-UHFFFAOYSA-N
XLogP0.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.33
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

6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746110
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide
CID 63980515
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide
CID 115627193
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide
CID 115668746
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
CID 154026015
7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide
CID 110490043
6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 63979376
6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide
CID 154837884

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide (CID 63980450) is 6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide is CC(O)CNC(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is NDRIBJBPEGRGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-6(13)4-12-9(14)7-2-3-8(10)11-5-7/h2-3,5-6,13H,4H2,1H3,(H,12,14).
What are the key properties of 6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide?
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 198.20 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 63980450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).