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

C7H8N2O2 — CID 137214364

IUPACN-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine
SMILESCOc1ccnc(C=NO)c1
InChIInChI=1S/C7H8N2O2/c1-11-7-2-3-8-6(4-7)5-9-10/h2-5,10H,1H3
InChIKeyISIMUZREROZCGN-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.90
Rot. Bonds2

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

N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine (PubChem CID 137214364) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine
PubChem CID137214364
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC NameN-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine
SMILESCOc1ccnc(C=NO)c1
InChIInChI=1S/C7H8N2O2/c1-11-7-2-3-8-6(4-7)5-9-10/h2-5,10H,1H3
InChIKeyISIMUZREROZCGN-UHFFFAOYSA-N
XLogP0.90
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.90
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

(NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine
CID 137006992
N-[[6-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine
CID 173421063
N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine
CID 71410965
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol
CID 146317492
N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide
CID 83875685
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);decakis(oxygen(2-));tungsten;bis(vanadium)
CID 53380093
hydron;4-methoxypyridin-2-amine
CID 131852579
(NE)-N-[(2-methylpyrimidin-4-yl)methylidene]hydroxylamine;hydrochloride
CID 172906715
2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine
CID 25124333
(NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine
CID 172937212
4-methoxypyridine-2-carbothioamide
CID 62926631

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine (CID 137214364) is N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine is COc1ccnc(C=NO)c1.
What is the InChIKey of N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine?
The InChIKey is ISIMUZREROZCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-11-7-2-3-8-6(4-7)5-9-10/h2-5,10H,1H3.
What are the key properties of N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine?
N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine has a molecular weight of 152.15 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 137214364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).