pyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate

C10H6Cl2N2O2S — CID 3375793

IUPACpyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate
SMILESO=C(Nc1cc(Cl)sc1Cl)Oc1cccnc1
InChIInChI=1S/C10H6Cl2N2O2S/c11-8-4-7(9(12)17-8)14-10(15)16-6-2-1-3-13-5-6/h1-5H,(H,14,15)
InChIKeyAQRRUQQNFISXAH-UHFFFAOYSA-N
MW289.14 g/mol
LogP4.06
Rot. Bonds2

About pyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate

pyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate (PubChem CID 3375793) has the molecular formula C10H6Cl2N2O2S and a molecular weight of 289.14 g/mol. Its IUPAC name is pyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate.

Molecular Properties

Compound Namepyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate
PubChem CID3375793
Molecular FormulaC10H6Cl2N2O2S
Molecular Weight289.14 g/mol
Exact Mass287.95
IUPAC Namepyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate
SMILESO=C(Nc1cc(Cl)sc1Cl)Oc1cccnc1
InChIInChI=1S/C10H6Cl2N2O2S/c11-8-4-7(9(12)17-8)14-10(15)16-6-2-1-3-13-5-6/h1-5H,(H,14,15)
InChIKeyAQRRUQQNFISXAH-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate?
The IUPAC name of pyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate (CID 3375793) is pyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate.
What is the SMILES notation for pyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate?
The canonical SMILES for pyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate is O=C(Nc1cc(Cl)sc1Cl)Oc1cccnc1.
What is the InChIKey of pyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate?
The InChIKey is AQRRUQQNFISXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2S/c11-8-4-7(9(12)17-8)14-10(15)16-6-2-1-3-13-5-6/h1-5H,(H,14,15).
What are the key properties of pyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate?
pyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate has a molecular weight of 289.14 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl N-(2,5-dichlorothiophen-3-yl)carbamate is sourced from PubChem (CID 3375793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).