2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide

C12H9BrClN3O — CID 114884097

IUPAC2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H9BrClN3O/c13-9-2-1-3-10(11(9)12(15)16)18-8-4-7(14)5-17-6-8/h1-6H,(H3,15,16)
InChIKeyJLSMSYDIYRVSFC-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.57
Rot. Bonds3

About 2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide

2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide (PubChem CID 114884097) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide
PubChem CID114884097
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H9BrClN3O/c13-9-2-1-3-10(11(9)12(15)16)18-8-4-7(14)5-17-6-8/h1-6H,(H3,15,16)
InChIKeyJLSMSYDIYRVSFC-UHFFFAOYSA-N
XLogP3.57
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.57
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

2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 114884034
2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide
CID 114883994
2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
CID 63524494
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarboximidamide
CID 64601574
2-[(5-chloro-3-pyridinyl)oxy]-6-fluorobenzenecarbothioamide
CID 79520433
2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708988
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide
CID 64601185
2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide
CID 114883946
2-bromo-6-(3,5-dichlorophenoxy)benzenecarbothioamide
CID 114882916
2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 64602153
2-bromo-6-(4-butan-2-ylphenoxy)benzenecarboximidamide
CID 107665095
2-fluoro-6-pyridin-3-yloxybenzenecarboximidamide
CID 79522129

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide?
The IUPAC name of 2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide (CID 114884097) is 2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide?
The canonical SMILES for 2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1Oc1cncc(Cl)c1.
What is the InChIKey of 2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide?
The InChIKey is JLSMSYDIYRVSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-9-2-1-3-10(11(9)12(15)16)18-8-4-7(14)5-17-6-8/h1-6H,(H3,15,16).
What are the key properties of 2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide?
2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide has a molecular weight of 326.58 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(5-chloro-3-pyridinyl)oxy]benzenecarboximidamide is sourced from PubChem (CID 114884097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).