3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine

C12H9Cl2N3O2S — CID 102761369

IUPAC3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine
SMILESCNc1nc(Sc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N3O2S/c1-15-11-9(13)6-10(14)12(16-11)20-8-4-2-7(3-5-8)17(18)19/h2-6H,1H3,(H,15,16)
InChIKeyJJVAYZQNIVTGFW-UHFFFAOYSA-N
MW330.20 g/mol
LogP4.49
Rot. Bonds4

About 3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine

3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine (PubChem CID 102761369) has the molecular formula C12H9Cl2N3O2S and a molecular weight of 330.20 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine
PubChem CID102761369
Molecular FormulaC12H9Cl2N3O2S
Molecular Weight330.20 g/mol
Exact Mass328.98
IUPAC Name3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine
SMILESCNc1nc(Sc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N3O2S/c1-15-11-9(13)6-10(14)12(16-11)20-8-4-2-7(3-5-8)17(18)19/h2-6H,1H3,(H,15,16)
InChIKeyJJVAYZQNIVTGFW-UHFFFAOYSA-N
XLogP4.49
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 54.49
H-Bond Donors ≤ 51
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,5-dimethyl-6-(4-nitrophenyl)sulfanylpyrimidin-4-amine
CID 80883862
5-chloro-N-ethyl-4-(4-nitrophenyl)sulfanylpyrimidin-2-amine
CID 80883945
1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
2,4-dichloro-1-(4-nitrophenyl)sulfanylbenzene
CID 91876619
4-chloro-2-cyclopropyl-5-methyl-6-(4-nitrophenyl)sulfanylpyrimidine
CID 80970415
2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine
CID 10883644
4-chloro-2-ethyl-6-(4-nitrophenyl)sulfanylpyrimidine
CID 80936390
6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine
CID 114073788
2-chloro-4-(4-nitrophenyl)sulfanylbenzonitrile
CID 62948505
3-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-5-nitroaniline
CID 80890461
3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine
CID 102760813
2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine
CID 62858855

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine (CID 102761369) is 3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine is CNc1nc(Sc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine?
The InChIKey is JJVAYZQNIVTGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2S/c1-15-11-9(13)6-10(14)12(16-11)20-8-4-2-7(3-5-8)17(18)19/h2-6H,1H3,(H,15,16).
What are the key properties of 3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine?
3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine has a molecular weight of 330.20 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine is sourced from PubChem (CID 102761369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).