3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide

C14H13F2N3O — CID 81293475

IUPAC3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(OCCc2ccccn2)c(F)c1
InChIInChI=1S/C14H13F2N3O/c15-11-7-9(14(17)18)8-12(16)13(11)20-6-4-10-3-1-2-5-19-10/h1-3,5,7-8H,4,6H2,(H3,17,18)
InChIKeyMTYGEQRRNKIAMG-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.27
Rot. Bonds5

About 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide

3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide (PubChem CID 81293475) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
PubChem CID81293475
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(OCCc2ccccn2)c(F)c1
InChIInChI=1S/C14H13F2N3O/c15-11-7-9(14(17)18)8-12(16)13(11)20-6-4-10-3-1-2-5-19-10/h1-3,5,7-8H,4,6H2,(H3,17,18)
InChIKeyMTYGEQRRNKIAMG-UHFFFAOYSA-N
XLogP2.27
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.27
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-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 29006279
3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988
3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 43128901
4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285682
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912390
3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide
CID 81293857
3-methoxy-5-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 103567774
3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402805
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3,5-difluorobenzenecarboximidamide
CID 102740176
3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid
CID 29006324
4-(2-pyridin-2-ylethoxy)butanimidamide
CID 43128902
3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide
CID 81293654

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide (CID 81293475) is 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(OCCc2ccccn2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide?
The InChIKey is MTYGEQRRNKIAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-11-7-9(14(17)18)8-12(16)13(11)20-6-4-10-3-1-2-5-19-10/h1-3,5,7-8H,4,6H2,(H3,17,18).
What are the key properties of 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide?
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide has a molecular weight of 277.27 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide is sourced from PubChem (CID 81293475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).