4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile

C13H11N3O — CID 55156270

IUPAC4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1cc(Oc2ccnc(C#N)c2)ccc1N
InChIInChI=1S/C13H11N3O/c1-9-6-11(2-3-13(9)15)17-12-4-5-16-10(7-12)8-14/h2-7H,15H2,1H3
InChIKeyGTUIVFDKEJUNIN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.64
Rot. Bonds2

About 4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile

4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile (PubChem CID 55156270) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile
PubChem CID55156270
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1cc(Oc2ccnc(C#N)c2)ccc1N
InChIInChI=1S/C13H11N3O/c1-9-6-11(2-3-13(9)15)17-12-4-5-16-10(7-12)8-14/h2-7H,15H2,1H3
InChIKeyGTUIVFDKEJUNIN-UHFFFAOYSA-N
XLogP2.64
TPSA71.93 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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile
CID 62937631
4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile
CID 79843917
4-(4-amino-3-methylphenoxy)-2-methylbenzonitrile
CID 81279568
3-(4-amino-3-methylphenoxy)pyrazine-2-carbonitrile
CID 62672549
4-(2,3-dimethylphenoxy)pyridine-2-carbonitrile
CID 62935721
4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile
CID 102981648
3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile
CID 80514822
1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea
CID 58659449
4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile
CID 81341566
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline
CID 139654231
4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile
CID 107664726

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile (CID 55156270) is 4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile is Cc1cc(Oc2ccnc(C#N)c2)ccc1N.
What is the InChIKey of 4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile?
The InChIKey is GTUIVFDKEJUNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-6-11(2-3-13(9)15)17-12-4-5-16-10(7-12)8-14/h2-7H,15H2,1H3.
What are the key properties of 4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile?
4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 55156270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).