3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine

C11H10N4O2 — CID 28889866

IUPAC3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCc1ccccn1
InChIInChI=1S/C11H10N4O2/c16-15(17)11-8-12-6-4-10(11)14-7-9-3-1-2-5-13-9/h1-6,8H,7H2,(H,12,14)
InChIKeyPCVMLOCQFDLVDO-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.00
Rot. Bonds4

About 3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine

3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine (PubChem CID 28889866) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine
PubChem CID28889866
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCc1ccccn1
InChIInChI=1S/C11H10N4O2/c16-15(17)11-8-12-6-4-10(11)14-7-9-3-1-2-5-13-9/h1-6,8H,7H2,(H,12,14)
InChIKeyPCVMLOCQFDLVDO-UHFFFAOYSA-N
XLogP2.00
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.00
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-2-ylmethyl)pyridin-4-amine?
The IUPAC name of 3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine (CID 28889866) is 3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for 3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine is O=[N+]([O-])c1cnccc1NCc1ccccn1.
What is the InChIKey of 3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine?
The InChIKey is PCVMLOCQFDLVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-15(17)11-8-12-6-4-10(11)14-7-9-3-1-2-5-13-9/h1-6,8H,7H2,(H,12,14).
What are the key properties of 3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine?
3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine has a molecular weight of 230.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(pyridin-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 28889866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).