2-(4-methoxyphenyl)sulfanyl-3-nitropyridine

C12H10N2O3S — CID 10563412

IUPAC2-(4-methoxyphenyl)sulfanyl-3-nitropyridine
SMILESCOc1ccc(Sc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O3S/c1-17-9-4-6-10(7-5-9)18-12-11(14(15)16)3-2-8-13-12/h2-8H,1H3
InChIKeyZGFHFMFBFVSLQB-UHFFFAOYSA-N
MW262.29 g/mol
LogP3.15
Rot. Bonds4

About 2-(4-methoxyphenyl)sulfanyl-3-nitropyridine

2-(4-methoxyphenyl)sulfanyl-3-nitropyridine (PubChem CID 10563412) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-3-nitropyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-3-nitropyridine
PubChem CID10563412
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name2-(4-methoxyphenyl)sulfanyl-3-nitropyridine
SMILESCOc1ccc(Sc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O3S/c1-17-9-4-6-10(7-5-9)18-12-11(14(15)16)3-2-8-13-12/h2-8H,1H3
InChIKeyZGFHFMFBFVSLQB-UHFFFAOYSA-N
XLogP3.15
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
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-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine
CID 9337532
3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine
CID 18670954
2-(2-methoxyethylsulfanyl)-3-nitropyridine
CID 133275081
1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057131
2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitropyridine
CID 15141760
2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine
CID 114057606
N,N-diethyl-3-[(3-nitro-2-pyridinyl)sulfanyl]aniline
CID 131710724
4-(4-methoxyphenyl)sulfanyl-2-nitrophenol
CID 91879724
2-bromo-4-(4-methoxyphenyl)sulfanyl-1-nitrobenzene
CID 91878897
N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 9112758
2-methylsulfanyl-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 17399569
methyl 3-amino-4-cyano-1-[4-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]pyrrole-2-carboxylate
CID 168547927

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-3-nitropyridine?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-3-nitropyridine (CID 10563412) is 2-(4-methoxyphenyl)sulfanyl-3-nitropyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-3-nitropyridine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-3-nitropyridine is COc1ccc(Sc2ncccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-3-nitropyridine?
The InChIKey is ZGFHFMFBFVSLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-17-9-4-6-10(7-5-9)18-12-11(14(15)16)3-2-8-13-12/h2-8H,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-3-nitropyridine?
2-(4-methoxyphenyl)sulfanyl-3-nitropyridine has a molecular weight of 262.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-3-nitropyridine is sourced from PubChem (CID 10563412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).