4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide

C13H12ClN3O — CID 64602735

IUPAC4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2cncc(Cl)c2)cc1
InChIInChI=1S/C13H12ClN3O/c14-11-5-12(7-17-6-11)18-8-9-1-3-10(4-2-9)13(15)16/h1-7H,8H2,(H3,15,16)
InChIKeyRYBLRTBYCRWPRP-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.60
Rot. Bonds4

About 4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide

4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide (PubChem CID 64602735) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
PubChem CID64602735
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2cncc(Cl)c2)cc1
InChIInChI=1S/C13H12ClN3O/c14-11-5-12(7-17-6-11)18-8-9-1-3-10(4-2-9)13(15)16/h1-7H,8H2,(H3,15,16)
InChIKeyRYBLRTBYCRWPRP-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'}

Analyze 4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
CID 64602541
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
4-[(3-chloro-4-fluorophenyl)methoxy]benzenecarboximidamide
CID 103038182
3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118213
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 64602153
3,5-bis[(4-carbamimidoylphenoxy)methyl]benzenecarboximidamide
CID 139902633
4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile
CID 64601565
4-[(3-bromophenoxy)methyl]benzenecarboximidamide
CID 24705552
4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide
CID 65126654
4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide (CID 64602735) is 4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(COc2cncc(Cl)c2)cc1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide?
The InChIKey is RYBLRTBYCRWPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-11-5-12(7-17-6-11)18-8-9-1-3-10(4-2-9)13(15)16/h1-7H,8H2,(H3,15,16).
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide?
4-[(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 4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide is sourced from PubChem (CID 64602735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).