5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide

C15H10F2N2O2 — CID 104639388

IUPAC5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1C#CCO)c1ccc(F)cn1
InChIInChI=1S/C15H10F2N2O2/c16-11-3-5-13(10(8-11)2-1-7-20)19-15(21)14-6-4-12(17)9-18-14/h3-6,8-9,20H,7H2,(H,19,21)
InChIKeyPHBKWFFLMRICLB-UHFFFAOYSA-N
MW288.25 g/mol
LogP1.96
Rot. Bonds2

About 5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide

5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide (PubChem CID 104639388) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
PubChem CID104639388
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1C#CCO)c1ccc(F)cn1
InChIInChI=1S/C15H10F2N2O2/c16-11-3-5-13(10(8-11)2-1-7-20)19-15(21)14-6-4-12(17)9-18-14/h3-6,8-9,20H,7H2,(H,19,21)
InChIKeyPHBKWFFLMRICLB-UHFFFAOYSA-N
XLogP1.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 104786278
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753851
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide
CID 60803152
5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide
CID 104639396
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 60804187
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-5-methylfuran-3-carboxamide
CID 114822142
5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
CID 104639407
N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484973
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide
CID 62688853
1-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-propylurea
CID 54922681
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106828189
N-(2-chlorophenyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816277

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide (CID 104639388) is 5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1C#CCO)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide?
The InChIKey is PHBKWFFLMRICLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-11-3-5-13(10(8-11)2-1-7-20)19-15(21)14-6-4-12(17)9-18-14/h3-6,8-9,20H,7H2,(H,19,21).
What are the key properties of 5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide?
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide has a molecular weight of 288.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 104639388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).