(NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine

C14H13IN2O3 — CID 91682653

IUPAC(NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N\O)cc(I)c1OCc1cccnc1
InChIInChI=1S/C14H13IN2O3/c1-19-13-6-11(8-17-18)5-12(15)14(13)20-9-10-3-2-4-16-7-10/h2-8,18H,9H2,1H3/b17-8-
InChIKeyDLIAHUACBMWDHL-IUXPMGMMSA-N
MW384.17 g/mol
LogP3.08
Rot. Bonds5

About (NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine

(NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 91682653) has the molecular formula C14H13IN2O3 and a molecular weight of 384.17 g/mol. Its IUPAC name is (NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine
PubChem CID91682653
Molecular FormulaC14H13IN2O3
Molecular Weight384.17 g/mol
Exact Mass384.00
IUPAC Name(NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N\O)cc(I)c1OCc1cccnc1
InChIInChI=1S/C14H13IN2O3/c1-19-13-6-11(8-17-18)5-12(15)14(13)20-9-10-3-2-4-16-7-10/h2-8,18H,9H2,1H3/b17-8-
InChIKeyDLIAHUACBMWDHL-IUXPMGMMSA-N
XLogP3.08
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.17
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]hydroxylamine
CID 1311678
(NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 99642838
(NZ)-N-[(3-iodo-4,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 5407943
2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol
CID 19617662
3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 43622762
(NE)-N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 6898200
4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 4770099
3-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 53401732
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126216170
N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 142496937
(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine
CID 91689806
3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine (CID 91682653) is (NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine is COc1cc(/C=N\O)cc(I)c1OCc1cccnc1.
What is the InChIKey of (NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is DLIAHUACBMWDHL-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H13IN2O3/c1-19-13-6-11(8-17-18)5-12(15)14(13)20-9-10-3-2-4-16-7-10/h2-8,18H,9H2,1H3/b17-8-.
What are the key properties of (NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine?
(NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 384.17 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 91682653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).