3-(5-nitrothiophen-2-yl)pyridin-2-amine

C9H7N3O2S — CID 96607519

IUPAC3-(5-nitrothiophen-2-yl)pyridin-2-amine
SMILESNc1ncccc1-c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C9H7N3O2S/c10-9-6(2-1-5-11-9)7-3-4-8(15-7)12(13)14/h1-5H,(H2,10,11)
InChIKeyCABYZDGHALSQHL-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.30
Rot. Bonds2

About 3-(5-nitrothiophen-2-yl)pyridin-2-amine

3-(5-nitrothiophen-2-yl)pyridin-2-amine (PubChem CID 96607519) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 3-(5-nitrothiophen-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(5-nitrothiophen-2-yl)pyridin-2-amine
PubChem CID96607519
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name3-(5-nitrothiophen-2-yl)pyridin-2-amine
SMILESNc1ncccc1-c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C9H7N3O2S/c10-9-6(2-1-5-11-9)7-3-4-8(15-7)12(13)14/h1-5H,(H2,10,11)
InChIKeyCABYZDGHALSQHL-UHFFFAOYSA-N
XLogP2.30
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.30
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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Related Compounds

2,5-bis(5-nitrothiophen-2-yl)thiophene
CID 11046018
3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677
4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine
CID 11417084
4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol
CID 70020164
2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol
CID 19069460
5-nitrothiophen-2-amine;hydrochloride
CID 115008612
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 106783896
2-(5-fluorothiophen-2-yl)-6-nitroaniline
CID 118915135
3-nitro-4-pyridin-2-ylpyridin-2-amine
CID 118914696
3-(2-aminophenyl)pyridin-2-amine
CID 130114605
2,3-dinitropyridine;hydrazine
CID 175406944
3-methyl-4-nitropyridin-2-amine
CID 19758038

Frequently Asked Questions

What is the IUPAC name of 3-(5-nitrothiophen-2-yl)pyridin-2-amine?
The IUPAC name of 3-(5-nitrothiophen-2-yl)pyridin-2-amine (CID 96607519) is 3-(5-nitrothiophen-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(5-nitrothiophen-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(5-nitrothiophen-2-yl)pyridin-2-amine is Nc1ncccc1-c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 3-(5-nitrothiophen-2-yl)pyridin-2-amine?
The InChIKey is CABYZDGHALSQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c10-9-6(2-1-5-11-9)7-3-4-8(15-7)12(13)14/h1-5H,(H2,10,11).
What are the key properties of 3-(5-nitrothiophen-2-yl)pyridin-2-amine?
3-(5-nitrothiophen-2-yl)pyridin-2-amine has a molecular weight of 221.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nitrothiophen-2-yl)pyridin-2-amine is sourced from PubChem (CID 96607519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).