N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine

C13H13N3O3 — CID 153275647

IUPACN-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
SMILESCOc1cc(C=NO)nc(-c2ccccn2)c1OC
InChIInChI=1S/C13H13N3O3/c1-18-11-7-9(8-15-17)16-12(13(11)19-2)10-5-3-4-6-14-10/h3-8,17H,1-2H3
InChIKeyWZBOHQZLZFLYKP-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.97
Rot. Bonds4

About N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine

N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine (PubChem CID 153275647) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
PubChem CID153275647
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
SMILESCOc1cc(C=NO)nc(-c2ccccn2)c1OC
InChIInChI=1S/C13H13N3O3/c1-18-11-7-9(8-15-17)16-12(13(11)19-2)10-5-3-4-6-14-10/h3-8,17H,1-2H3
InChIKeyWZBOHQZLZFLYKP-UHFFFAOYSA-N
XLogP1.97
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
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

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CID 135514797
[3H]methoxy-PEPy
CID 10910934
Caeurolomycin A
CID 159917
Caerulomycin
CID 135478684
Caerulomycin C
CID 135503530
Caerulomycinonitrile
CID 13586798
4,4'-Dimethoxy-2,2'-bipyridyl
CID 2733927
3-Methoxy-5-(2-pyridinylethynyl)pyridine
CID 10081842
(2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-2-ylmethyl]morpholine
CID 44578925
Caerulomycin F
CID 25192237
Collismycin A
CID 135482271
2,2'-Bipyridine-3,3'-diol
CID 534031

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine (CID 153275647) is N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine is COc1cc(C=NO)nc(-c2ccccn2)c1OC.
What is the InChIKey of N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
The InChIKey is WZBOHQZLZFLYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-18-11-7-9(8-15-17)16-12(13(11)19-2)10-5-3-4-6-14-10/h3-8,17H,1-2H3.
What are the key properties of N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine has a molecular weight of 259.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 153275647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).