5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile

C12H7Cl2N3O — CID 54861104

IUPAC5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2N3O/c13-8-2-9(14)4-11(3-8)18-12-7(5-15)1-10(16)6-17-12/h1-4,6H,16H2
InChIKeyIEHBTPOAZINZPF-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.63
Rot. Bonds2

About 5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile

5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile (PubChem CID 54861104) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile
PubChem CID54861104
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2N3O/c13-8-2-9(14)4-11(3-8)18-12-7(5-15)1-10(16)6-17-12/h1-4,6H,16H2
InChIKeyIEHBTPOAZINZPF-UHFFFAOYSA-N
XLogP3.63
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile (CID 54861104) is 5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile is N#Cc1cc(N)cnc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile?
The InChIKey is IEHBTPOAZINZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c13-8-2-9(14)4-11(3-8)18-12-7(5-15)1-10(16)6-17-12/h1-4,6H,16H2.
What are the key properties of 5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile?
5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile has a molecular weight of 280.11 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 54861104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).