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

C7H7N3O2 — CID 135678754

IUPACN-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine
SMILESON=Cc1cccc(/C=N/O)n1
InChIInChI=1S/C7H7N3O2/c11-8-4-6-2-1-3-7(10-6)5-9-12/h1-5,11-12H/b8-4+,9-5?
InChIKeyJBWQJYCKKIWNAM-HQMTTWOASA-N
MW165.15 g/mol
LogP0.70
Rot. Bonds2

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

N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine (PubChem CID 135678754) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine
PubChem CID135678754
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC NameN-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine
SMILESON=Cc1cccc(/C=N/O)n1
InChIInChI=1S/C7H7N3O2/c11-8-4-6-2-1-3-7(10-6)5-9-12/h1-5,11-12H/b8-4+,9-5?
InChIKeyJBWQJYCKKIWNAM-HQMTTWOASA-N
XLogP0.70
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[6-[(E)-hydroxyiminomethyl]-4-methoxy-2-pyridinyl]-2-pyridinyl]methylidene]hydroxylamine
CID 173421063
(NE)-N-[(2-methylpyrimidin-4-yl)methylidene]hydroxylamine;hydrochloride
CID 172906715
N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 90442397
(NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
CID 164705272
N-(1,7-naphthyridin-2-ylmethylidene)hydroxylamine
CID 137241662
(NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine
CID 136952913
(2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol
CID 2818120
2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol
CID 4086151
[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine;(NE)-N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]hydroxylamine
CID 172930306
(NZ)-N-[(2-benzylsulfanylpyrimidin-4-yl)methylidene]hydroxylamine
CID 135910618
N-(pyren-4-ylmethylidene)hydroxylamine
CID 3722226
N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine
CID 21130230

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine (CID 135678754) is N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine is ON=Cc1cccc(/C=N/O)n1.
What is the InChIKey of N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine?
The InChIKey is JBWQJYCKKIWNAM-HQMTTWOASA-N. The full InChI is InChI=1S/C7H7N3O2/c11-8-4-6-2-1-3-7(10-6)5-9-12/h1-5,11-12H/b8-4+,9-5?.
What are the key properties of N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine?
N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine has a molecular weight of 165.15 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 135678754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).