2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid

C19H11FN2O3 — CID 45377253

IUPAC2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid
SMILESN#Cc1cc(-c2cc(C(=O)O)c(O)cn2)cc(F)c1-c1ccccc1
InChIInChI=1S/C19H11FN2O3/c20-15-7-12(16-8-14(19(24)25)17(23)10-22-16)6-13(9-21)18(15)11-4-2-1-3-5-11/h1-8,10,23H,(H,24,25)
InChIKeyIYFPNCMMIVRDRG-UHFFFAOYSA-N
MW334.31 g/mol
LogP3.83
Rot. Bonds3

About 2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid

2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid (PubChem CID 45377253) has the molecular formula C19H11FN2O3 and a molecular weight of 334.31 g/mol. Its IUPAC name is 2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid
PubChem CID45377253
Molecular FormulaC19H11FN2O3
Molecular Weight334.31 g/mol
Exact Mass334.08
IUPAC Name2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid
SMILESN#Cc1cc(-c2cc(C(=O)O)c(O)cn2)cc(F)c1-c1ccccc1
InChIInChI=1S/C19H11FN2O3/c20-15-7-12(16-8-14(19(24)25)17(23)10-22-16)6-13(9-21)18(15)11-4-2-1-3-5-11/h1-8,10,23H,(H,24,25)
InChIKeyIYFPNCMMIVRDRG-UHFFFAOYSA-N
XLogP3.83
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-5-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid
CID 45257151
2-(3,5-difluorophenyl)-5-hydroxypyridine-4-carboxylic acid
CID 132589060
5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid
CID 115043513
2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid
CID 45377527
2-[3-cyano-4-[4-[2-(trifluoromethoxy)ethoxy]phenyl]phenyl]-5-hydroxypyridine-4-carboxylic acid
CID 143975575
5-fluoro-4-phenylpyridine-3-carbonitrile
CID 84668137
2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid
CID 70821245
3-fluoro-2-phenylbenzonitrile
CID 46314737
5-cyano-2-(2-methylphenyl)pyridine-4-carboxylic acid
CID 115042471
4-cyano-3-phenylphthalic acid
CID 151383359
4-(2-benzoylphenyl)-2-fluorobenzonitrile
CID 132599326
2-(2,6-dicyano-3,4-dihydroxyphenyl)benzoic acid
CID 72548036

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid?
The IUPAC name of 2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid (CID 45377253) is 2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid is N#Cc1cc(-c2cc(C(=O)O)c(O)cn2)cc(F)c1-c1ccccc1.
What is the InChIKey of 2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid?
The InChIKey is IYFPNCMMIVRDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2O3/c20-15-7-12(16-8-14(19(24)25)17(23)10-22-16)6-13(9-21)18(15)11-4-2-1-3-5-11/h1-8,10,23H,(H,24,25).
What are the key properties of 2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid?
2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid has a molecular weight of 334.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid is sourced from PubChem (CID 45377253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).