2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide

C13H17Cl2N3O — CID 57412748

IUPAC2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide
SMILESO=C(CC1CCCCC1)NNc1c(Cl)cncc1Cl
InChIInChI=1S/C13H17Cl2N3O/c14-10-7-16-8-11(15)13(10)18-17-12(19)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,16,18)(H,17,19)
InChIKeyAQSAVBIPZVAUJA-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.80
Rot. Bonds4

About 2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide

2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide (PubChem CID 57412748) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide.

Molecular Properties

Compound Name2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide
PubChem CID57412748
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide
SMILESO=C(CC1CCCCC1)NNc1c(Cl)cncc1Cl
InChIInChI=1S/C13H17Cl2N3O/c14-10-7-16-8-11(15)13(10)18-17-12(19)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,16,18)(H,17,19)
InChIKeyAQSAVBIPZVAUJA-UHFFFAOYSA-N
XLogP3.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide?
The IUPAC name of 2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide (CID 57412748) is 2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide.
What is the SMILES notation for 2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide?
The canonical SMILES for 2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide is O=C(CC1CCCCC1)NNc1c(Cl)cncc1Cl.
What is the InChIKey of 2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide?
The InChIKey is AQSAVBIPZVAUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c14-10-7-16-8-11(15)13(10)18-17-12(19)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,16,18)(H,17,19).
What are the key properties of 2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide?
2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide has a molecular weight of 302.20 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide is sourced from PubChem (CID 57412748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).