2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile

C13H11N3O — CID 113228777

IUPAC2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCc1ccccc1O
InChIInChI=1S/C13H11N3O/c14-8-10-5-3-7-15-13(10)16-9-11-4-1-2-6-12(11)17/h1-7,17H,9H2,(H,15,16)
InChIKeyYCRVEYLDMXKDRM-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.27
Rot. Bonds3

About 2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile

2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile (PubChem CID 113228777) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
PubChem CID113228777
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCc1ccccc1O
InChIInChI=1S/C13H11N3O/c14-8-10-5-3-7-15-13(10)16-9-11-4-1-2-6-12(11)17/h1-7,17H,9H2,(H,15,16)
InChIKeyYCRVEYLDMXKDRM-UHFFFAOYSA-N
XLogP2.27
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 16567838
2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 63311555
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile
CID 79524488
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
CID 114617287
2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile
CID 60965511
2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 51091666
2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile
CID 62523720
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile
CID 166358644
N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
CID 133279511
3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
CID 80515426

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile (CID 113228777) is 2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NCc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is YCRVEYLDMXKDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-10-5-3-7-15-13(10)16-9-11-4-1-2-6-12(11)17/h1-7,17H,9H2,(H,15,16).
What are the key properties of 2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile?
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 113228777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).