(NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine

C14H12BrFN2O2 — CID 104797850

IUPAC(NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(F)cc1OCc1cncc(Br)c1
InChIInChI=1S/C14H12BrFN2O2/c1-9(18-19)13-3-2-12(16)5-14(13)20-8-10-4-11(15)7-17-6-10/h2-7,19H,8H2,1H3/b18-9-
InChIKeyLBQYNBCFAMLPEV-NVMNQCDNSA-N
MW339.16 g/mol
LogP3.76
Rot. Bonds4

About (NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine

(NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine (PubChem CID 104797850) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is (NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine
PubChem CID104797850
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name(NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(F)cc1OCc1cncc(Br)c1
InChIInChI=1S/C14H12BrFN2O2/c1-9(18-19)13-3-2-12(16)5-14(13)20-8-10-4-11(15)7-17-6-10/h2-7,19H,8H2,1H3/b18-9-
InChIKeyLBQYNBCFAMLPEV-NVMNQCDNSA-N
XLogP3.76
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 76983455
N-[1-[4-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 76983367
N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77003503
2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 104797666
(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82003192
N-[1-[4-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79267270
2-[(5-bromo-3-pyridinyl)methoxy]-4-methylbenzoic acid
CID 104795963
2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide
CID 113454566
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine
CID 107306643
(NE)-N-[1-[2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24711436
[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol
CID 107690477

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine (CID 104797850) is (NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine is C/C(=N/O)c1ccc(F)cc1OCc1cncc(Br)c1.
What is the InChIKey of (NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine?
The InChIKey is LBQYNBCFAMLPEV-NVMNQCDNSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-9(18-19)13-3-2-12(16)5-14(13)20-8-10-4-11(15)7-17-6-10/h2-7,19H,8H2,1H3/b18-9-.
What are the key properties of (NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine has a molecular weight of 339.16 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 104797850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).