3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide

C13H12ClN3O — CID 64602541

IUPAC3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2cncc(Cl)c2)c1
InChIInChI=1S/C13H12ClN3O/c14-11-5-12(7-17-6-11)18-8-9-2-1-3-10(4-9)13(15)16/h1-7H,8H2,(H3,15,16)
InChIKeyZQNQAOJUWLEAML-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.60
Rot. Bonds4

About 3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide

3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide (PubChem CID 64602541) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
PubChem CID64602541
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2cncc(Cl)c2)c1
InChIInChI=1S/C13H12ClN3O/c14-11-5-12(7-17-6-11)18-8-9-2-1-3-10(4-9)13(15)16/h1-7H,8H2,(H3,15,16)
InChIKeyZQNQAOJUWLEAML-UHFFFAOYSA-N
XLogP2.60
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
CID 64602735
3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide
CID 64601823
3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
CID 62336532
4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide
CID 73355195
3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118213
3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107709017
3,5-dibromo-4-[(3-carbamimidoylphenyl)methoxy]benzenecarboximidamide
CID 73353685
2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 64602153
3-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331398
3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 82918831
3-[(5-chloro-2-nitrophenoxy)methyl]benzenecarboximidamide
CID 62305355
3-[(2,4,6-trimethylphenoxy)methyl]benzenecarboximidamide
CID 61218400

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide?
The IUPAC name of 3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide (CID 64602541) is 3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide?
The canonical SMILES for 3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(COc2cncc(Cl)c2)c1.
What is the InChIKey of 3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide?
The InChIKey is ZQNQAOJUWLEAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-11-5-12(7-17-6-11)18-8-9-2-1-3-10(4-9)13(15)16/h1-7H,8H2,(H3,15,16).
What are the key properties of 3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide?
3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide has a molecular weight of 261.71 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide is sourced from PubChem (CID 64602541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).