2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine

C8H9ClN2O2S — CID 168966942

IUPAC2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine
SMILESCCSc1cc(C)c([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C8H9ClN2O2S/c1-3-14-6-4-5(2)7(11(12)13)8(9)10-6/h4H,3H2,1-2H3
InChIKeyLVDMFVNCZCAAFQ-UHFFFAOYSA-N
MW232.69 g/mol
LogP3.06
Rot. Bonds3

About 2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine

2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine (PubChem CID 168966942) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine
PubChem CID168966942
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine
SMILESCCSc1cc(C)c([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C8H9ClN2O2S/c1-3-14-6-4-5(2)7(11(12)13)8(9)10-6/h4H,3H2,1-2H3
InChIKeyLVDMFVNCZCAAFQ-UHFFFAOYSA-N
XLogP3.06
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-chloro-6-methoxy-4-methyl-3-nitropyridine
CID 146235051
4-chloro-6-methyl-5-nitro-2-propylsulfanylpyrimidine
CID 90395890
2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
CID 119013891
2,4-dichloro-6-methyl-5-nitropyrimidine
CID 131668662
2,4,6-trichloro-5-nitropyridine-3-carboxamide
CID 542095
6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 82458941
2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid
CID 71414970
1-(bromomethyl)-3-chloro-4-methyl-2-nitrobenzene
CID 130836965
4-bromo-2,6-dichloro-3-nitropyridine
CID 118338335
1-chloro-5-iodo-3-methyl-2-nitrobenzene
CID 131166880
3-chloro-5-methyl-4-nitrobenzenethiol
CID 130864737
3-chloro-5-methyl-4-nitroaniline
CID 130951026

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine?
The IUPAC name of 2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine (CID 168966942) is 2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine.
What is the SMILES notation for 2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine?
The canonical SMILES for 2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine is CCSc1cc(C)c([N+](=O)[O-])c(Cl)n1.
What is the InChIKey of 2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine?
The InChIKey is LVDMFVNCZCAAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c1-3-14-6-4-5(2)7(11(12)13)8(9)10-6/h4H,3H2,1-2H3.
What are the key properties of 2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine?
2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine has a molecular weight of 232.69 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine is sourced from PubChem (CID 168966942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).