N'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide

C7H7BrClN3O — CID 130121709

IUPACN'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide
SMILESCC(=Nc1nc(Cl)ccc1Br)NO
InChIInChI=1S/C7H7BrClN3O/c1-4(12-13)10-7-5(8)2-3-6(9)11-7/h2-3,13H,1H3,(H,10,11,12)
InChIKeyIMHHWSDOEDVTPQ-UHFFFAOYSA-N
MW264.51 g/mol
LogP2.53
Rot. Bonds1

About N'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide

N'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide (PubChem CID 130121709) has the molecular formula C7H7BrClN3O and a molecular weight of 264.51 g/mol. Its IUPAC name is N'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide.

Molecular Properties

Compound NameN'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide
PubChem CID130121709
Molecular FormulaC7H7BrClN3O
Molecular Weight264.51 g/mol
Exact Mass262.95
IUPAC NameN'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide
SMILESCC(=Nc1nc(Cl)ccc1Br)NO
InChIInChI=1S/C7H7BrClN3O/c1-4(12-13)10-7-5(8)2-3-6(9)11-7/h2-3,13H,1H3,(H,10,11,12)
InChIKeyIMHHWSDOEDVTPQ-UHFFFAOYSA-N
XLogP2.53
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide?
The IUPAC name of N'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide (CID 130121709) is N'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide.
What is the SMILES notation for N'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide?
The canonical SMILES for N'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide is CC(=Nc1nc(Cl)ccc1Br)NO.
What is the InChIKey of N'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide?
The InChIKey is IMHHWSDOEDVTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN3O/c1-4(12-13)10-7-5(8)2-3-6(9)11-7/h2-3,13H,1H3,(H,10,11,12).
What are the key properties of N'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide?
N'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide has a molecular weight of 264.51 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-6-chloro-2-pyridinyl)-N-hydroxyethanimidamide is sourced from PubChem (CID 130121709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).