(NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine

C17H15ClN2O — CID 154621589

IUPAC(NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C\c1nc(Cl)ccc1C#CCCCc1ccccc1
InChIInChI=1S/C17H15ClN2O/c18-17-12-11-15(16(20-17)13-19-21)10-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,11-13,21H,2,5,9H2/b19-13-
InChIKeyFNEXUDWQYPFTQE-UYRXBGFRSA-N
MW298.77 g/mol
LogP3.92
Rot. Bonds4

About (NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine (PubChem CID 154621589) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine
PubChem CID154621589
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C\c1nc(Cl)ccc1C#CCCCc1ccccc1
InChIInChI=1S/C17H15ClN2O/c18-17-12-11-15(16(20-17)13-19-21)10-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,11-13,21H,2,5,9H2/b19-13-
InChIKeyFNEXUDWQYPFTQE-UYRXBGFRSA-N
XLogP3.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine (CID 154621589) is (NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine is O/N=C\c1nc(Cl)ccc1C#CCCCc1ccccc1.
What is the InChIKey of (NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine?
The InChIKey is FNEXUDWQYPFTQE-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-17-12-11-15(16(20-17)13-19-21)10-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,11-13,21H,2,5,9H2/b19-13-.
What are the key properties of (NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine has a molecular weight of 298.77 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 154621589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).