4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol

C15H16N2O3 — CID 135512364

IUPAC4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol
SMILESCCc1cc(/C(Cc2ccccn2)=N\O)c(O)cc1O
InChIInChI=1S/C15H16N2O3/c1-2-10-7-12(15(19)9-14(10)18)13(17-20)8-11-5-3-4-6-16-11/h3-7,9,18-20H,2,8H2,1H3/b17-13-
InChIKeyCCFPAUUMEAYRKP-LGMDPLHJSA-N
MW272.30 g/mol
LogP2.48
Rot. Bonds4

About 4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol

4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol (PubChem CID 135512364) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol
PubChem CID135512364
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol
SMILESCCc1cc(/C(Cc2ccccn2)=N\O)c(O)cc1O
InChIInChI=1S/C15H16N2O3/c1-2-10-7-12(15(19)9-14(10)18)13(17-20)8-11-5-3-4-6-16-11/h3-7,9,18-20H,2,8H2,1H3/b17-13-
InChIKeyCCFPAUUMEAYRKP-LGMDPLHJSA-N
XLogP2.48
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.48
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol (CID 135512364) is 4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol is CCc1cc(/C(Cc2ccccn2)=N\O)c(O)cc1O.
What is the InChIKey of 4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol?
The InChIKey is CCFPAUUMEAYRKP-LGMDPLHJSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-10-7-12(15(19)9-14(10)18)13(17-20)8-11-5-3-4-6-16-11/h3-7,9,18-20H,2,8H2,1H3/b17-13-.
What are the key properties of 4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol?
4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol has a molecular weight of 272.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 135512364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).