2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile

C18H13N3O — CID 21004427

IUPAC2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)cnc1Nc1ccccc1O
InChIInChI=1S/C18H13N3O/c19-11-14-10-15(13-6-2-1-3-7-13)12-20-18(14)21-16-8-4-5-9-17(16)22/h1-10,12,22H,(H,20,21)
InChIKeyVDLOHTVGWCBOJW-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.07
Rot. Bonds3

About 2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile

2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile (PubChem CID 21004427) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile
PubChem CID21004427
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)cnc1Nc1ccccc1O
InChIInChI=1S/C18H13N3O/c19-11-14-10-15(13-6-2-1-3-7-13)12-20-18(14)21-16-8-4-5-9-17(16)22/h1-10,12,22H,(H,20,21)
InChIKeyVDLOHTVGWCBOJW-UHFFFAOYSA-N
XLogP4.07
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid
CID 21001889
2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile
CID 164912151
2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid
CID 21004433
2-(1,3-benzodioxol-5-ylamino)-5-phenylpyridine-3-carbonitrile
CID 21001885
4-[[(3-cyano-5-phenyl-2-pyridinyl)amino]methyl]benzoic acid
CID 7749382
2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile
CID 21004408
5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
CID 81440129
5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile
CID 54860710
2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 102437645
2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile
CID 164912177
2-hydroxy-4-phenylbenzonitrile
CID 23148964
2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile
CID 21004425

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile (CID 21004427) is 2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile is N#Cc1cc(-c2ccccc2)cnc1Nc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile?
The InChIKey is VDLOHTVGWCBOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c19-11-14-10-15(13-6-2-1-3-7-13)12-20-18(14)21-16-8-4-5-9-17(16)22/h1-10,12,22H,(H,20,21).
What are the key properties of 2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile?
2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 21004427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).