(2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone

C10H13ClN4OS — CID 62243993

IUPAC(2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone
SMILESNNc1cc(C(=O)N2CCSCC2)cc(Cl)n1
InChIInChI=1S/C10H13ClN4OS/c11-8-5-7(6-9(13-8)14-12)10(16)15-1-3-17-4-2-15/h5-6H,1-4,12H2,(H,13,14)
InChIKeyORNMLZWOHHATRZ-UHFFFAOYSA-N
MW272.76 g/mol
LogP1.21
Rot. Bonds2

About (2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone

(2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone (PubChem CID 62243993) has the molecular formula C10H13ClN4OS and a molecular weight of 272.76 g/mol. Its IUPAC name is (2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone
PubChem CID62243993
Molecular FormulaC10H13ClN4OS
Molecular Weight272.76 g/mol
Exact Mass272.05
IUPAC Name(2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone
SMILESNNc1cc(C(=O)N2CCSCC2)cc(Cl)n1
InChIInChI=1S/C10H13ClN4OS/c11-8-5-7(6-9(13-8)14-12)10(16)15-1-3-17-4-2-15/h5-6H,1-4,12H2,(H,13,14)
InChIKeyORNMLZWOHHATRZ-UHFFFAOYSA-N
XLogP1.21
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone
CID 62242607
(2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65286839
(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62243807
2-chloro-6-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
CID 106327248
(2-chloro-6-hydrazinyl-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62247185
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968195
[2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 113378982
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83061599
(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 62156377
(2-hydrazinyl-6-methyl-4-pyridinyl)-morpholin-4-ylmethanone
CID 70843948
[2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186716
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone (CID 62243993) is (2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone is NNc1cc(C(=O)N2CCSCC2)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone?
The InChIKey is ORNMLZWOHHATRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4OS/c11-8-5-7(6-9(13-8)14-12)10(16)15-1-3-17-4-2-15/h5-6H,1-4,12H2,(H,13,14).
What are the key properties of (2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone?
(2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone has a molecular weight of 272.76 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 62243993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).