5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine

C11H9N5O2 — CID 6092914

IUPAC5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N/N=C\c2cccnc2)nc1
InChIInChI=1S/C11H9N5O2/c17-16(18)10-3-4-11(13-8-10)15-14-7-9-2-1-5-12-6-9/h1-8H,(H,13,15)/b14-7-
InChIKeyBNMDYNAUIHWDCM-AUWJEWJLSA-N
MW243.23 g/mol
LogP1.83
Rot. Bonds4

About 5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine

5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine (PubChem CID 6092914) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine
PubChem CID6092914
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N/N=C\c2cccnc2)nc1
InChIInChI=1S/C11H9N5O2/c17-16(18)10-3-4-11(13-8-10)15-14-7-9-2-1-5-12-6-9/h1-8H,(H,13,15)/b14-7-
InChIKeyBNMDYNAUIHWDCM-AUWJEWJLSA-N
XLogP1.83
TPSA93.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine (CID 6092914) is 5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine is O=[N+]([O-])c1ccc(N/N=C\c2cccnc2)nc1.
What is the InChIKey of 5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine?
The InChIKey is BNMDYNAUIHWDCM-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H9N5O2/c17-16(18)10-3-4-11(13-8-10)15-14-7-9-2-1-5-12-6-9/h1-8H,(H,13,15)/b14-7-.
What are the key properties of 5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine?
5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine has a molecular weight of 243.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]pyridin-2-amine is sourced from PubChem (CID 6092914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).