5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine

C14H11N5O2S — CID 68897045

IUPAC5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine
SMILESNc1cc(-c2cc([N+](=O)[O-])c(N)nc2-c2cccs2)ccn1
InChIInChI=1S/C14H11N5O2S/c15-12-6-8(3-4-17-12)9-7-10(19(20)21)14(16)18-13(9)11-2-1-5-22-11/h1-7H,(H2,15,17)(H2,16,18)
InChIKeyFZQYZDYWCBLWLX-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.94
Rot. Bonds3

About 5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine

5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine (PubChem CID 68897045) has the molecular formula C14H11N5O2S and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine
PubChem CID68897045
Molecular FormulaC14H11N5O2S
Molecular Weight313.34 g/mol
Exact Mass313.06
IUPAC Name5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine
SMILESNc1cc(-c2cc([N+](=O)[O-])c(N)nc2-c2cccs2)ccn1
InChIInChI=1S/C14H11N5O2S/c15-12-6-8(3-4-17-12)9-7-10(19(20)21)14(16)18-13(9)11-2-1-5-22-11/h1-7H,(H2,15,17)(H2,16,18)
InChIKeyFZQYZDYWCBLWLX-UHFFFAOYSA-N
XLogP2.94
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine?
The IUPAC name of 5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine (CID 68897045) is 5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine.
What is the SMILES notation for 5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine?
The canonical SMILES for 5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine is Nc1cc(-c2cc([N+](=O)[O-])c(N)nc2-c2cccs2)ccn1.
What is the InChIKey of 5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine?
The InChIKey is FZQYZDYWCBLWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2S/c15-12-6-8(3-4-17-12)9-7-10(19(20)21)14(16)18-13(9)11-2-1-5-22-11/h1-7H,(H2,15,17)(H2,16,18).
What are the key properties of 5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine?
5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine has a molecular weight of 313.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine is sourced from PubChem (CID 68897045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).