3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile

C11H7ClN4O — CID 59849804

IUPAC3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1Oc1ncc(Cl)cc1N
InChIInChI=1S/C11H7ClN4O/c12-7-4-8(14)11(16-6-7)17-10-2-1-3-15-9(10)5-13/h1-4,6H,14H2
InChIKeySXFCGLUJLLEMHN-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.38
Rot. Bonds2

About 3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile

3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile (PubChem CID 59849804) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is 3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile
PubChem CID59849804
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC Name3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1Oc1ncc(Cl)cc1N
InChIInChI=1S/C11H7ClN4O/c12-7-4-8(14)11(16-6-7)17-10-2-1-3-15-9(10)5-13/h1-4,6H,14H2
InChIKeySXFCGLUJLLEMHN-UHFFFAOYSA-N
XLogP2.38
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile?
The IUPAC name of 3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile (CID 59849804) is 3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile is N#Cc1ncccc1Oc1ncc(Cl)cc1N.
What is the InChIKey of 3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile?
The InChIKey is SXFCGLUJLLEMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c12-7-4-8(14)11(16-6-7)17-10-2-1-3-15-9(10)5-13/h1-4,6H,14H2.
What are the key properties of 3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile?
3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile has a molecular weight of 246.66 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile is sourced from PubChem (CID 59849804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).