2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide

C14H13FN2O2 — CID 63183562

IUPAC2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1ccnc(F)c1
InChIInChI=1S/C14H13FN2O2/c15-13-8-11(6-7-16-13)14(19)17-12(9-18)10-4-2-1-3-5-10/h1-8,12,18H,9H2,(H,17,19)
InChIKeyNPMSHMULAZPZAZ-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.68
Rot. Bonds4

About 2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide

2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide (PubChem CID 63183562) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide
PubChem CID63183562
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1ccnc(F)c1
InChIInChI=1S/C14H13FN2O2/c15-13-8-11(6-7-16-13)14(19)17-12(9-18)10-4-2-1-3-5-10/h1-8,12,18H,9H2,(H,17,19)
InChIKeyNPMSHMULAZPZAZ-UHFFFAOYSA-N
XLogP1.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.68
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-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 104860738
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide
CID 113356437
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 110001583
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide (CID 63183562) is 2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide is O=C(NC(CO)c1ccccc1)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide?
The InChIKey is NPMSHMULAZPZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-13-8-11(6-7-16-13)14(19)17-12(9-18)10-4-2-1-3-5-10/h1-8,12,18H,9H2,(H,17,19).
What are the key properties of 2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide?
2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 63183562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).