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

C10H9N3O2S — CID 2800353

IUPAC3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCc1cccs1
InChIInChI=1S/C10H9N3O2S/c14-13(15)9-4-1-5-11-10(9)12-7-8-3-2-6-16-8/h1-6H,7H2,(H,11,12)
InChIKeyFXDAEWOXEHMLTC-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.66
Rot. Bonds4

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

3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 2800353) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID2800353
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCc1cccs1
InChIInChI=1S/C10H9N3O2S/c14-13(15)9-4-1-5-11-10(9)12-7-8-3-2-6-16-8/h1-6H,7H2,(H,11,12)
InChIKeyFXDAEWOXEHMLTC-UHFFFAOYSA-N
XLogP2.66
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.66
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-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 2800353) is 3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine is O=[N+]([O-])c1cccnc1NCc1cccs1.
What is the InChIKey of 3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is FXDAEWOXEHMLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-13(15)9-4-1-5-11-10(9)12-7-8-3-2-6-16-8/h1-6H,7H2,(H,11,12).
What are the key properties of 3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine?
3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 235.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 2800353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).