1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine

C10H6Cl2N2S — CID 2739779

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine
SMILESClc1cc(/C=N/c2cccnc2)c(Cl)s1
InChIInChI=1S/C10H6Cl2N2S/c11-9-4-7(10(12)15-9)5-14-8-2-1-3-13-6-8/h1-6H/b14-5+
InChIKeyQFRKIOMRUQXFAV-LHHJGKSTSA-N
MW257.15 g/mol
LogP4.20
Rot. Bonds2

About 1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine

1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine (PubChem CID 2739779) has the molecular formula C10H6Cl2N2S and a molecular weight of 257.15 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine
PubChem CID2739779
Molecular FormulaC10H6Cl2N2S
Molecular Weight257.15 g/mol
Exact Mass255.96
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine
SMILESClc1cc(/C=N/c2cccnc2)c(Cl)s1
InChIInChI=1S/C10H6Cl2N2S/c11-9-4-7(10(12)15-9)5-14-8-2-1-3-13-6-8/h1-6H/b14-5+
InChIKeyQFRKIOMRUQXFAV-LHHJGKSTSA-N
XLogP4.20
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine (CID 2739779) is 1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine is Clc1cc(/C=N/c2cccnc2)c(Cl)s1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine?
The InChIKey is QFRKIOMRUQXFAV-LHHJGKSTSA-N. The full InChI is InChI=1S/C10H6Cl2N2S/c11-9-4-7(10(12)15-9)5-14-8-2-1-3-13-6-8/h1-6H/b14-5+.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine?
1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine has a molecular weight of 257.15 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-pyridin-3-ylmethanimine is sourced from PubChem (CID 2739779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).