2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide

C15H11FN2O3 — CID 107677282

IUPAC2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(C#CCO)ccn1)c1ccc(O)cc1F
InChIInChI=1S/C15H11FN2O3/c16-13-9-11(20)3-4-12(13)15(21)18-14-8-10(2-1-7-19)5-6-17-14/h3-6,8-9,19-20H,7H2,(H,17,18,21)
InChIKeyUHXSLBFYTUVAJD-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.52
Rot. Bonds2

About 2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide

2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide (PubChem CID 107677282) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
PubChem CID107677282
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(C#CCO)ccn1)c1ccc(O)cc1F
InChIInChI=1S/C15H11FN2O3/c16-13-9-11(20)3-4-12(13)15(21)18-14-8-10(2-1-7-19)5-6-17-14/h3-6,8-9,19-20H,7H2,(H,17,18,21)
InChIKeyUHXSLBFYTUVAJD-UHFFFAOYSA-N
XLogP1.52
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821042
2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide
CID 102820853
2,5-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821008
5-fluoro-2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102820825
2,6-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102820907
2-chloro-3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821048
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 60820829
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102820967
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pyridazin-3-ylbenzamide
CID 116787533
5-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102820811
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 102821026
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide
CID 63562624

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide (CID 107677282) is 2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide is O=C(Nc1cc(C#CCO)ccn1)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide?
The InChIKey is UHXSLBFYTUVAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-13-9-11(20)3-4-12(13)15(21)18-14-8-10(2-1-7-19)5-6-17-14/h3-6,8-9,19-20H,7H2,(H,17,18,21).
What are the key properties of 2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide?
2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide has a molecular weight of 286.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 107677282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).