(NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine

C16H12F2N4O2 — CID 56675857

IUPAC(NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1cn(/C(=N\O)c2cccnc2Oc2c(F)cccc2F)cn1
InChIInChI=1S/C16H12F2N4O2/c1-10-8-22(9-20-10)15(21-23)11-4-3-7-19-16(11)24-14-12(17)5-2-6-13(14)18/h2-9,23H,1H3/b21-15-
InChIKeyNLKGMLZPHDCNHR-QNGOZBTKSA-N
MW330.29 g/mol
LogP3.34
Rot. Bonds3

About (NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine

(NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine (PubChem CID 56675857) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is (NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
PubChem CID56675857
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC Name(NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1cn(/C(=N\O)c2cccnc2Oc2c(F)cccc2F)cn1
InChIInChI=1S/C16H12F2N4O2/c1-10-8-22(9-20-10)15(21-23)11-4-3-7-19-16(11)24-14-12(17)5-2-6-13(14)18/h2-9,23H,1H3/b21-15-
InChIKeyNLKGMLZPHDCNHR-QNGOZBTKSA-N
XLogP3.34
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine (CID 56675857) is (NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine is Cc1cn(/C(=N\O)c2cccnc2Oc2c(F)cccc2F)cn1.
What is the InChIKey of (NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The InChIKey is NLKGMLZPHDCNHR-QNGOZBTKSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c1-10-8-22(9-20-10)15(21-23)11-4-3-7-19-16(11)24-14-12(17)5-2-6-13(14)18/h2-9,23H,1H3/b21-15-.
What are the key properties of (NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine has a molecular weight of 330.29 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(2,6-difluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56675857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).