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

C12H8IN3O — CID 82812989

IUPAC3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cccc(I)c2)c1N
InChIInChI=1S/C12H8IN3O/c13-9-2-1-3-10(6-9)17-12-11(15)8(7-14)4-5-16-12/h1-6H,15H2
InChIKeyHSAJYMDWLBINCL-UHFFFAOYSA-N
MW337.12 g/mol
LogP2.93
Rot. Bonds2

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

3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile (PubChem CID 82812989) has the molecular formula C12H8IN3O and a molecular weight of 337.12 g/mol. Its IUPAC name is 3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile
PubChem CID82812989
Molecular FormulaC12H8IN3O
Molecular Weight337.12 g/mol
Exact Mass336.97
IUPAC Name3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cccc(I)c2)c1N
InChIInChI=1S/C12H8IN3O/c13-9-2-1-3-10(6-9)17-12-11(15)8(7-14)4-5-16-12/h1-6H,15H2
InChIKeyHSAJYMDWLBINCL-UHFFFAOYSA-N
XLogP2.93
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 102746886
3-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carbonitrile
CID 82813947
2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile
CID 107058844
3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile
CID 82813718
2-(3-cyanophenoxy)pyridine-3-carbonitrile
CID 24692068
3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile
CID 107663742
4-(3-iodophenoxy)benzonitrile
CID 43137980
3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile
CID 82812987
2-(3-acetylphenoxy)pyridine-3-carbonitrile
CID 18194838
2-(3-iodophenoxy)-4-methoxybenzonitrile
CID 81305875
methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
CID 18194841
4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 82795312

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile (CID 82812989) is 3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile is N#Cc1ccnc(Oc2cccc(I)c2)c1N.
What is the InChIKey of 3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile?
The InChIKey is HSAJYMDWLBINCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8IN3O/c13-9-2-1-3-10(6-9)17-12-11(15)8(7-14)4-5-16-12/h1-6H,15H2.
What are the key properties of 3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile?
3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile has a molecular weight of 337.12 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 82812989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).