N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide

C14H14BrN3O2 — CID 59104004

IUPACN'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide
SMILESON/C=N/c1ccc(OCCc2ccc(Br)cc2)nc1
InChIInChI=1S/C14H14BrN3O2/c15-12-3-1-11(2-4-12)7-8-20-14-6-5-13(9-16-14)17-10-18-19/h1-6,9-10,19H,7-8H2,(H,17,18)
InChIKeyYZCJFPHNYSUNGK-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.10
Rot. Bonds6

About N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide

N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide (PubChem CID 59104004) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide
PubChem CID59104004
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide
SMILESON/C=N/c1ccc(OCCc2ccc(Br)cc2)nc1
InChIInChI=1S/C14H14BrN3O2/c15-12-3-1-11(2-4-12)7-8-20-14-6-5-13(9-16-14)17-10-18-19/h1-6,9-10,19H,7-8H2,(H,17,18)
InChIKeyYZCJFPHNYSUNGK-UHFFFAOYSA-N
XLogP3.10
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide?
The IUPAC name of N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide (CID 59104004) is N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide.
What is the SMILES notation for N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide?
The canonical SMILES for N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide is ON/C=N/c1ccc(OCCc2ccc(Br)cc2)nc1.
What is the InChIKey of N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide?
The InChIKey is YZCJFPHNYSUNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-12-3-1-11(2-4-12)7-8-20-14-6-5-13(9-16-14)17-10-18-19/h1-6,9-10,19H,7-8H2,(H,17,18).
What are the key properties of N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide?
N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide has a molecular weight of 336.19 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide is sourced from PubChem (CID 59104004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).