2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide

C11H9ClN4O — CID 64602153

IUPAC2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2cncc(Cl)c2)c1
InChIInChI=1S/C11H9ClN4O/c12-8-4-9(6-15-5-8)17-10-3-7(11(13)14)1-2-16-10/h1-6H,(H3,13,14)
InChIKeyZGJLWFRDBDANMV-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.21
Rot. Bonds3

About 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide

2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide (PubChem CID 64602153) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide
PubChem CID64602153
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2cncc(Cl)c2)c1
InChIInChI=1S/C11H9ClN4O/c12-8-4-9(6-15-5-8)17-10-3-7(11(13)14)1-2-16-10/h1-6H,(H3,13,14)
InChIKeyZGJLWFRDBDANMV-UHFFFAOYSA-N
XLogP2.21
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide
CID 64600981
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide
CID 64601185
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide
CID 61398835
4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
CID 64602735
2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
CID 43150625
3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
CID 64602541
2-(1-ethylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 116801525
6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide
CID 64600208
2-(2,6-dimethylphenoxy)pyridine-4-carboximidamide
CID 24710757
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarboximidamide
CID 64601574
2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide
CID 114884097
2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide
CID 104707813

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide (CID 64602153) is 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2cncc(Cl)c2)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide?
The InChIKey is ZGJLWFRDBDANMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-8-4-9(6-15-5-8)17-10-3-7(11(13)14)1-2-16-10/h1-6H,(H3,13,14).
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide?
2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide has a molecular weight of 248.67 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide is sourced from PubChem (CID 64602153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).