[[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite

C13H11ClFN3OS — CID 163250858

IUPAC[[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite
SMILES[H]/N=C(\c1ccccc1OC)c1ccc(Cl)nc1NSF
InChIInChI=1S/C13H11ClFN3OS/c1-19-10-5-3-2-4-8(10)12(16)9-6-7-11(14)17-13(9)18-20-15/h2-7,16H,1H3,(H,17,18)/b16-12+
InChIKeyNEUADLAKVHGHRM-FOWTUZBSSA-N
MW311.77 g/mol
LogP4.10
Rot. Bonds5

About [[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite

[[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite (PubChem CID 163250858) has the molecular formula C13H11ClFN3OS and a molecular weight of 311.77 g/mol. Its IUPAC name is [[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite.

Molecular Properties

Compound Name[[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite
PubChem CID163250858
Molecular FormulaC13H11ClFN3OS
Molecular Weight311.77 g/mol
Exact Mass311.03
IUPAC Name[[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite
SMILES[H]/N=C(\c1ccccc1OC)c1ccc(Cl)nc1NSF
InChIInChI=1S/C13H11ClFN3OS/c1-19-10-5-3-2-4-8(10)12(16)9-6-7-11(14)17-13(9)18-20-15/h2-7,16H,1H3,(H,17,18)/b16-12+
InChIKeyNEUADLAKVHGHRM-FOWTUZBSSA-N
XLogP4.10
TPSA58.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite?
The IUPAC name of [[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite (CID 163250858) is [[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite.
What is the SMILES notation for [[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite?
The canonical SMILES for [[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite is [H]/N=C(\c1ccccc1OC)c1ccc(Cl)nc1NSF.
What is the InChIKey of [[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite?
The InChIKey is NEUADLAKVHGHRM-FOWTUZBSSA-N. The full InChI is InChI=1S/C13H11ClFN3OS/c1-19-10-5-3-2-4-8(10)12(16)9-6-7-11(14)17-13(9)18-20-15/h2-7,16H,1H3,(H,17,18)/b16-12+.
What are the key properties of [[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite?
[[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite has a molecular weight of 311.77 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[6-chloro-3-(2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite is sourced from PubChem (CID 163250858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).