2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine

C9H11ClN2O3S — CID 115323207

IUPAC2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(SCCCCl)n1
InChIInChI=1S/C9H11ClN2O3S/c1-15-8-4-3-7(12(13)14)9(11-8)16-6-2-5-10/h3-4H,2,5-6H2,1H3
InChIKeyLUVVSLGFYIZWFU-UHFFFAOYSA-N
MW262.72 g/mol
LogP2.72
Rot. Bonds6

About 2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine

2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine (PubChem CID 115323207) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine.

Molecular Properties

Compound Name2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine
PubChem CID115323207
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(SCCCCl)n1
InChIInChI=1S/C9H11ClN2O3S/c1-15-8-4-3-7(12(13)14)9(11-8)16-6-2-5-10/h3-4H,2,5-6H2,1H3
InChIKeyLUVVSLGFYIZWFU-UHFFFAOYSA-N
XLogP2.72
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine 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

2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide
CID 115323386
methyl 3-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]propanoate
CID 142411399
2-benzylsulfanyl-6-methoxy-3-nitropyridine
CID 135308487
CID 157299402
CID 157299402
3-[(6-methyl-3-nitro-2-pyridinyl)sulfanyl]propan-1-ol
CID 81136184
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
1-(3-chloropropyl)-4-(6-methoxy-3-nitro-2-pyridinyl)piperazine
CID 110184367
5-nitro-6-pentylsulfanylpyridin-2-amine
CID 107765410
[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol
CID 115323202
6-butylsulfanyl-N-ethyl-5-nitropyridin-2-amine
CID 80883977
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine?
The IUPAC name of 2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine (CID 115323207) is 2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine.
What is the SMILES notation for 2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine?
The canonical SMILES for 2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine is COc1ccc([N+](=O)[O-])c(SCCCCl)n1.
What is the InChIKey of 2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine?
The InChIKey is LUVVSLGFYIZWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-15-8-4-3-7(12(13)14)9(11-8)16-6-2-5-10/h3-4H,2,5-6H2,1H3.
What are the key properties of 2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine?
2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine has a molecular weight of 262.72 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine is sourced from PubChem (CID 115323207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).