N-(pyridin-4-ylmethylidene)hydroxylamine

C12H12N4O2 — CID 159045467

IUPACN-(pyridin-4-ylmethylidene)hydroxylamine
SMILESON=Cc1ccncc1.ON=Cc1ccncc1
InChIInChI=1S/2C6H6N2O/c2*9-8-5-6-1-3-7-4-2-6/h2*1-5,9H
InChIKeyJWPDPVCFJLENPF-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.78
Rot. Bonds2

About N-(pyridin-4-ylmethylidene)hydroxylamine

N-(pyridin-4-ylmethylidene)hydroxylamine (PubChem CID 159045467) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(pyridin-4-ylmethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethylidene)hydroxylamine
PubChem CID159045467
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-(pyridin-4-ylmethylidene)hydroxylamine
SMILESON=Cc1ccncc1.ON=Cc1ccncc1
InChIInChI=1S/2C6H6N2O/c2*9-8-5-6-1-3-7-4-2-6/h2*1-5,9H
InChIKeyJWPDPVCFJLENPF-UHFFFAOYSA-N
XLogP1.78
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
CID 143032049
(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 39869732
carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium
CID 178127818
(NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine
CID 136728703
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
CID 6330289
CID 6330289
4-ethenylpyridine;nitrous acid
CID 174851226
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 608088
N-benzylidenehydroxylamine;ethane
CID 90698406
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine
CID 11321538

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethylidene)hydroxylamine?
The IUPAC name of N-(pyridin-4-ylmethylidene)hydroxylamine (CID 159045467) is N-(pyridin-4-ylmethylidene)hydroxylamine.
What is the SMILES notation for N-(pyridin-4-ylmethylidene)hydroxylamine?
The canonical SMILES for N-(pyridin-4-ylmethylidene)hydroxylamine is ON=Cc1ccncc1.ON=Cc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethylidene)hydroxylamine?
The InChIKey is JWPDPVCFJLENPF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6N2O/c2*9-8-5-6-1-3-7-4-2-6/h2*1-5,9H.
What are the key properties of N-(pyridin-4-ylmethylidene)hydroxylamine?
N-(pyridin-4-ylmethylidene)hydroxylamine has a molecular weight of 244.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethylidene)hydroxylamine is sourced from PubChem (CID 159045467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).