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

C11H9ClN4O — CID 64601185

IUPAC2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Oc1cncc(Cl)c1
InChIInChI=1S/C11H9ClN4O/c12-7-4-8(6-15-5-7)17-11-9(10(13)14)2-1-3-16-11/h1-6H,(H3,13,14)
InChIKeyIHNLIVUCWOHGIH-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.21
Rot. Bonds3

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

2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide (PubChem CID 64601185) 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-3-carboximidamide.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide
PubChem CID64601185
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Oc1cncc(Cl)c1
InChIInChI=1S/C11H9ClN4O/c12-7-4-8(6-15-5-7)17-11-9(10(13)14)2-1-3-16-11/h1-6H,(H3,13,14)
InChIKeyIHNLIVUCWOHGIH-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-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
CID 82716806
2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-3-carboximidamide
CID 28825165
2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 64602153
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarboximidamide
CID 64601574
2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82253632
3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118213
2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 64601771
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-sulfonamide
CID 112573090
2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
CID 82240751
N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide
CID 82253649
2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide
CID 114884097

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide (CID 64601185) is 2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1Oc1cncc(Cl)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide?
The InChIKey is IHNLIVUCWOHGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-7-4-8(6-15-5-7)17-11-9(10(13)14)2-1-3-16-11/h1-6H,(H3,13,14).
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide?
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-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-3-carboximidamide is sourced from PubChem (CID 64601185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).