3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide

C13H11ClFN3O — CID 107118213

IUPAC3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2cncc(Cl)c2)c1F
InChIInChI=1S/C13H11ClFN3O/c14-9-4-10(6-18-5-9)19-7-8-2-1-3-11(12(8)15)13(16)17/h1-6H,7H2,(H3,16,17)
InChIKeyBUPHRHKOROOFOS-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.74
Rot. Bonds4

About 3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide

3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide (PubChem CID 107118213) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide
PubChem CID107118213
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2cncc(Cl)c2)c1F
InChIInChI=1S/C13H11ClFN3O/c14-9-4-10(6-18-5-9)19-7-8-2-1-3-11(12(8)15)13(16)17/h1-6H,7H2,(H3,16,17)
InChIKeyBUPHRHKOROOFOS-UHFFFAOYSA-N
XLogP2.74
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.74
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

3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
CID 64602541
2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 107118184
3-[(3-ethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118138
3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118134
4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
CID 64602735
3-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107116084
3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118238
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide
CID 64601185
3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118102
4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 102856104
2-[(5-chloro-3-pyridinyl)oxymethyl]-5-fluorobenzenecarbothioamide
CID 64602533
3-[(2,3-dimethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118135

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide?
The IUPAC name of 3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide (CID 107118213) is 3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide.
What is the SMILES notation for 3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide?
The canonical SMILES for 3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cccc(COc2cncc(Cl)c2)c1F.
What is the InChIKey of 3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide?
The InChIKey is BUPHRHKOROOFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-9-4-10(6-18-5-9)19-7-8-2-1-3-11(12(8)15)13(16)17/h1-6H,7H2,(H3,16,17).
What are the key properties of 3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide?
3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide has a molecular weight of 279.70 g/mol, XLogP of 2.74, 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]-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 107118213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).