3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile

C13H11N3O — CID 107735224

IUPAC3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile
SMILESCN(c1cccc(O)c1)c1cnccc1C#N
InChIInChI=1S/C13H11N3O/c1-16(11-3-2-4-12(17)7-11)13-9-15-6-5-10(13)8-14/h2-7,9,17H,1H3
InChIKeyOJTMNXBGHCMCDV-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.43
Rot. Bonds2

About 3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile

3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile (PubChem CID 107735224) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile
PubChem CID107735224
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile
SMILESCN(c1cccc(O)c1)c1cnccc1C#N
InChIInChI=1S/C13H11N3O/c1-16(11-3-2-4-12(17)7-11)13-9-15-6-5-10(13)8-14/h2-7,9,17H,1H3
InChIKeyOJTMNXBGHCMCDV-UHFFFAOYSA-N
XLogP2.43
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile (CID 107735224) is 3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile is CN(c1cccc(O)c1)c1cnccc1C#N.
What is the InChIKey of 3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile?
The InChIKey is OJTMNXBGHCMCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-16(11-3-2-4-12(17)7-11)13-9-15-6-5-10(13)8-14/h2-7,9,17H,1H3.
What are the key properties of 3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile?
3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-N-methylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 107735224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).