3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide

C13H12FN3O — CID 82253424

IUPAC3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccnc2)c(F)c1
InChIInChI=1S/C13H12FN3O/c14-11-6-10(13(15)16)3-4-12(11)18-8-9-2-1-5-17-7-9/h1-7H,8H2,(H3,15,16)
InChIKeyXRQHIDIDBHHYOF-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.08
Rot. Bonds4

About 3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide

3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide (PubChem CID 82253424) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
PubChem CID82253424
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccnc2)c(F)c1
InChIInChI=1S/C13H12FN3O/c14-11-6-10(13(15)16)3-4-12(11)18-8-9-2-1-5-17-7-9/h1-7H,8H2,(H3,15,16)
InChIKeyXRQHIDIDBHHYOF-UHFFFAOYSA-N
XLogP2.08
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.08
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-fluoro-N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 107666338
3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 107666580
4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 103567747
3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide
CID 63262641
(2S)-N-[[4-carbamimidoyl-2-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(2,6-difluoro-4-methoxyphenyl)-2-methoxyacetamide;hydrochloride
CID 69290928
4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 82253825
3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253926
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389434

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide (CID 82253424) is 3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2cccnc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is XRQHIDIDBHHYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-11-6-10(13(15)16)3-4-12(11)18-8-9-2-1-5-17-7-9/h1-7H,8H2,(H3,15,16).
What are the key properties of 3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 245.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 82253424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).