4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine

C10H12ClN3O2S — CID 56806367

IUPAC4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine
SMILESCC1CN(c2ncc([N+](=O)[O-])cc2Cl)CCS1
InChIInChI=1S/C10H12ClN3O2S/c1-7-6-13(2-3-17-7)10-9(11)4-8(5-12-10)14(15)16/h4-5,7H,2-3,6H2,1H3
InChIKeyUQRZJCGWESWJCU-UHFFFAOYSA-N
MW273.75 g/mol
LogP2.58
Rot. Bonds2

About 4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine

4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine (PubChem CID 56806367) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is 4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine.

Molecular Properties

Compound Name4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine
PubChem CID56806367
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine
SMILESCC1CN(c2ncc([N+](=O)[O-])cc2Cl)CCS1
InChIInChI=1S/C10H12ClN3O2S/c1-7-6-13(2-3-17-7)10-9(11)4-8(5-12-10)14(15)16/h4-5,7H,2-3,6H2,1H3
InChIKeyUQRZJCGWESWJCU-UHFFFAOYSA-N
XLogP2.58
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 52.58
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

N-[1-(3-chloro-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanesulfonamide
CID 133304647
3-chloro-2-(4-ethenylpiperidin-1-yl)-5-nitropyridine
CID 133309524
1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 103878214
6-(3-chloro-5-nitro-2-pyridinyl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133364422
3-chloro-2-[4-(ethoxymethyl)piperidin-1-yl]-5-nitropyridine
CID 133310064
4-(3-chloro-5-nitro-2-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 133374917
1-(3-bromo-5-nitro-2-pyridinyl)-3,5-dimethylpiperazine
CID 79535406
(3S,5R)-1-(3-bromo-5-nitro-2-pyridinyl)-3,5-dimethylpiperazine
CID 126816100
(3S)-1-(3-fluoro-5-nitro-2-pyridinyl)-3-methylpiperazine
CID 177354867
3-[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione
CID 133309442
1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106673378
6-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136555763

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine?
The IUPAC name of 4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine (CID 56806367) is 4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine.
What is the SMILES notation for 4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine?
The canonical SMILES for 4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine is CC1CN(c2ncc([N+](=O)[O-])cc2Cl)CCS1.
What is the InChIKey of 4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine?
The InChIKey is UQRZJCGWESWJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c1-7-6-13(2-3-17-7)10-9(11)4-8(5-12-10)14(15)16/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine?
4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine has a molecular weight of 273.75 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine is sourced from PubChem (CID 56806367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).