N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine

C13H12N4O3 — CID 173421063

IUPACN-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N/O)nc(-c2cccc(C=NO)n2)c1
InChIInChI=1S/C13H12N4O3/c1-20-11-5-10(8-15-19)17-13(6-11)12-4-2-3-9(16-12)7-14-18/h2-8,18-19H,1H3/b14-7?,15-8+
InChIKeySEJPEMRHCRULLM-QMAYSTCJSA-N
MW272.26 g/mol
LogP1.77
Rot. Bonds4

About N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine

N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine (PubChem CID 173421063) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine
PubChem CID173421063
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N/O)nc(-c2cccc(C=NO)n2)c1
InChIInChI=1S/C13H12N4O3/c1-20-11-5-10(8-15-19)17-13(6-11)12-4-2-3-9(16-12)7-14-18/h2-8,18-19H,1H3/b14-7?,15-8+
InChIKeySEJPEMRHCRULLM-QMAYSTCJSA-N
XLogP1.77
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine
CID 135678754
N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine
CID 137214364
4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine
CID 132581793
2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine
CID 71374375
(NZ)-N-[[3-(4-methoxyphenoxy)phenyl]methylidene]hydroxylamine
CID 59496691
N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine
CID 71410965
(NE)-N-[[3-[2-(4-methoxyphenyl)ethynyl]phenyl]methylidene]hydroxylamine
CID 15181398
3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol
CID 69094333
2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid
CID 103348517
2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine
CID 135025720
N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide
CID 173091119
N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine
CID 57363090

Frequently Asked Questions

What is the IUPAC name of N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine (CID 173421063) is N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine is COc1cc(/C=N/O)nc(-c2cccc(C=NO)n2)c1.
What is the InChIKey of N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine?
The InChIKey is SEJPEMRHCRULLM-QMAYSTCJSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-20-11-5-10(8-15-19)17-13(6-11)12-4-2-3-9(16-12)7-14-18/h2-8,18-19H,1H3/b14-7?,15-8+.
What are the key properties of N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine?
N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine has a molecular weight of 272.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 173421063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).