2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine

C12H13N3O2S — CID 112685164

IUPAC2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
SMILESCC(Cc1cccs1)Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C12H13N3O2S/c1-9(8-10-4-3-7-18-10)14-11-5-2-6-13-12(11)15(16)17/h2-7,9,14H,8H2,1H3
InChIKeyDMJKHPLMIXVVPA-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.09
Rot. Bonds5

About 2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine

2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine (PubChem CID 112685164) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
PubChem CID112685164
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
SMILESCC(Cc1cccs1)Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C12H13N3O2S/c1-9(8-10-4-3-7-18-10)14-11-5-2-6-13-12(11)15(16)17/h2-7,9,14H,8H2,1H3
InChIKeyDMJKHPLMIXVVPA-UHFFFAOYSA-N
XLogP3.09
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.09
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

(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
CID 126999846
2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 112689948
N-heptan-2-yl-2-nitropyridin-3-amine
CID 112686460
1-N,1-N-dimethyl-3-N-(2-nitro-3-pyridinyl)butane-1,3-diamine
CID 113227932
4-iodo-2-nitro-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 66065714
4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79176131
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432789
6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 103888375
2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 115585333
N-methyl-2-nitropyridin-3-amine
CID 555983
3-fluoro-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 63292518

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine?
The IUPAC name of 2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine (CID 112685164) is 2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine.
What is the SMILES notation for 2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine?
The canonical SMILES for 2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine is CC(Cc1cccs1)Nc1cccnc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine?
The InChIKey is DMJKHPLMIXVVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-9(8-10-4-3-7-18-10)14-11-5-2-6-13-12(11)15(16)17/h2-7,9,14H,8H2,1H3.
What are the key properties of 2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine?
2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine has a molecular weight of 263.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 112685164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).