3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide

C10H6Cl3N3OS — CID 2811016

IUPAC3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide
SMILESO=C(NNc1c(Cl)cncc1Cl)c1sccc1Cl
InChIInChI=1S/C10H6Cl3N3OS/c11-5-1-2-18-9(5)10(17)16-15-8-6(12)3-14-4-7(8)13/h1-4H,(H,14,15)(H,16,17)
InChIKeyHOGMIAJBCWDKDG-UHFFFAOYSA-N
MW322.60 g/mol
LogP3.86
Rot. Bonds3

About 3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide

3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide (PubChem CID 2811016) has the molecular formula C10H6Cl3N3OS and a molecular weight of 322.60 g/mol. Its IUPAC name is 3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide
PubChem CID2811016
Molecular FormulaC10H6Cl3N3OS
Molecular Weight322.60 g/mol
Exact Mass320.93
IUPAC Name3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide
SMILESO=C(NNc1c(Cl)cncc1Cl)c1sccc1Cl
InChIInChI=1S/C10H6Cl3N3OS/c11-5-1-2-18-9(5)10(17)16-15-8-6(12)3-14-4-7(8)13/h1-4H,(H,14,15)(H,16,17)
InChIKeyHOGMIAJBCWDKDG-UHFFFAOYSA-N
XLogP3.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.60
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide (CID 2811016) is 3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide is O=C(NNc1c(Cl)cncc1Cl)c1sccc1Cl.
What is the InChIKey of 3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide?
The InChIKey is HOGMIAJBCWDKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3OS/c11-5-1-2-18-9(5)10(17)16-15-8-6(12)3-14-4-7(8)13/h1-4H,(H,14,15)(H,16,17).
What are the key properties of 3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide?
3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide has a molecular weight of 322.60 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(3,5-dichloro-4-pyridinyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2811016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).