3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine

C12H11Cl3N2S — CID 107361146

IUPAC3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-c2sccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N2S/c1-2-4-16-12-9(15)6-8(14)10(17-12)11-7(13)3-5-18-11/h3,5-6H,2,4H2,1H3,(H,16,17)
InChIKeyJLPMGQBXOHOUAO-UHFFFAOYSA-N
MW321.66 g/mol
LogP5.59
Rot. Bonds4

About 3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine

3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine (PubChem CID 107361146) has the molecular formula C12H11Cl3N2S and a molecular weight of 321.66 g/mol. Its IUPAC name is 3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
PubChem CID107361146
Molecular FormulaC12H11Cl3N2S
Molecular Weight321.66 g/mol
Exact Mass319.97
IUPAC Name3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-c2sccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N2S/c1-2-4-16-12-9(15)6-8(14)10(17-12)11-7(13)3-5-18-11/h3,5-6H,2,4H2,1H3,(H,16,17)
InChIKeyJLPMGQBXOHOUAO-UHFFFAOYSA-N
XLogP5.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.66
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine
CID 102753546
3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089
6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 107361034
3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine
CID 102753661
3,5-dichloro-6-(2,5-difluorophenyl)-N-propylpyridin-2-amine
CID 102753304
3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine
CID 103341839
3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine
CID 102753267
3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102755816
3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102753760
6-(3-chlorothiophen-2-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 107361032
3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine
CID 102753582
3,5-dichloro-6-(3-methyl-4-pyridinyl)-N-propylpyridin-2-amine
CID 102753551

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine (CID 107361146) is 3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine is CCCNc1nc(-c2sccc2Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine?
The InChIKey is JLPMGQBXOHOUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2S/c1-2-4-16-12-9(15)6-8(14)10(17-12)11-7(13)3-5-18-11/h3,5-6H,2,4H2,1H3,(H,16,17).
What are the key properties of 3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine?
3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine has a molecular weight of 321.66 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine is sourced from PubChem (CID 107361146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).