6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine

C12H12ClN3O2S — CID 103888375

IUPAC6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cc1cccs1)Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C12H12ClN3O2S/c1-8(5-10-3-2-4-19-10)14-12-7-9(16(17)18)6-11(13)15-12/h2-4,6-8H,5H2,1H3,(H,14,15)
InChIKeyQGPLAZFQLBZUPW-UHFFFAOYSA-N
MW297.77 g/mol
LogP3.75
Rot. Bonds5

About 6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine

6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine (PubChem CID 103888375) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
PubChem CID103888375
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cc1cccs1)Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C12H12ClN3O2S/c1-8(5-10-3-2-4-19-10)14-12-7-9(16(17)18)6-11(13)15-12/h2-4,6-8H,5H2,1H3,(H,14,15)
InChIKeyQGPLAZFQLBZUPW-UHFFFAOYSA-N
XLogP3.75
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80940460
3-fluoro-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 63292518
4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79176131
4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103888945
6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 113345983
6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 103888459
N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432789
2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 112685164
4-iodo-2-nitro-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 66065714
6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 61397753
2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80950302
2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114767664

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine (CID 103888375) is 6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine is CC(Cc1cccs1)Nc1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is QGPLAZFQLBZUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-8(5-10-3-2-4-19-10)14-12-7-9(16(17)18)6-11(13)15-12/h2-4,6-8H,5H2,1H3,(H,14,15).
What are the key properties of 6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 297.77 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 103888375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).