3-nitro-N-pyridin-3-ylpyridin-4-amine

C10H8N4O2 — CID 90409104

IUPAC3-nitro-N-pyridin-3-ylpyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1Nc1cccnc1
InChIInChI=1S/C10H8N4O2/c15-14(16)10-7-12-5-3-9(10)13-8-2-1-4-11-6-8/h1-7H,(H,12,13)
InChIKeySYUZVNYMTLEQEB-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.13
Rot. Bonds3

About 3-nitro-N-pyridin-3-ylpyridin-4-amine

3-nitro-N-pyridin-3-ylpyridin-4-amine (PubChem CID 90409104) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-nitro-N-pyridin-3-ylpyridin-4-amine.

Molecular Properties

Compound Name3-nitro-N-pyridin-3-ylpyridin-4-amine
PubChem CID90409104
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name3-nitro-N-pyridin-3-ylpyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1Nc1cccnc1
InChIInChI=1S/C10H8N4O2/c15-14(16)10-7-12-5-3-9(10)13-8-2-1-4-11-6-8/h1-7H,(H,12,13)
InChIKeySYUZVNYMTLEQEB-UHFFFAOYSA-N
XLogP2.13
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 3-nitro-N-pyridin-3-ylpyridin-4-amine?
The IUPAC name of 3-nitro-N-pyridin-3-ylpyridin-4-amine (CID 90409104) is 3-nitro-N-pyridin-3-ylpyridin-4-amine.
What is the SMILES notation for 3-nitro-N-pyridin-3-ylpyridin-4-amine?
The canonical SMILES for 3-nitro-N-pyridin-3-ylpyridin-4-amine is O=[N+]([O-])c1cnccc1Nc1cccnc1.
What is the InChIKey of 3-nitro-N-pyridin-3-ylpyridin-4-amine?
The InChIKey is SYUZVNYMTLEQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c15-14(16)10-7-12-5-3-9(10)13-8-2-1-4-11-6-8/h1-7H,(H,12,13).
What are the key properties of 3-nitro-N-pyridin-3-ylpyridin-4-amine?
3-nitro-N-pyridin-3-ylpyridin-4-amine has a molecular weight of 216.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-pyridin-3-ylpyridin-4-amine is sourced from PubChem (CID 90409104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).