6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine

C11H8ClF5N2OS — CID 155134591

IUPAC6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc(S(F)(F)(F)(F)F)cc2Cl)nc1
InChIInChI=1S/C11H8ClF5N2OS/c12-9-5-8(21(13,14,15,16)17)2-3-10(9)20-11-4-1-7(18)6-19-11/h1-6H,18H2
InChIKeyYYHIVWOMCSNMMZ-UHFFFAOYSA-N
MW346.71 g/mol
LogP5.77
Rot. Bonds3

About 6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine

6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine (PubChem CID 155134591) has the molecular formula C11H8ClF5N2OS and a molecular weight of 346.71 g/mol. Its IUPAC name is 6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine
PubChem CID155134591
Molecular FormulaC11H8ClF5N2OS
Molecular Weight346.71 g/mol
Exact Mass346.00
IUPAC Name6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc(S(F)(F)(F)(F)F)cc2Cl)nc1
InChIInChI=1S/C11H8ClF5N2OS/c12-9-5-8(21(13,14,15,16)17)2-3-10(9)20-11-4-1-7(18)6-19-11/h1-6H,18H2
InChIKeyYYHIVWOMCSNMMZ-UHFFFAOYSA-N
XLogP5.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.71
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline
CID 43173727
6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
CID 114049044
5-chloro-2-(2,4-dichlorophenoxy)pyridine
CID 66232986
5-chloro-2-(2-chloro-4-fluorophenoxy)pyridine
CID 66234554
ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
6-[4-[(5-amino-2-pyridinyl)oxy]phenoxy]pyridin-3-amine
CID 102449756
6-(6-chloropyrimidin-4-yl)oxypyridin-3-amine
CID 90020695
3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline
CID 130155682
4-chloro-5-[(5-chloro-2-pyridinyl)oxy]-2-fluoroaniline
CID 18402908
6-(5-fluoro-2-methylphenoxy)pyridin-3-amine
CID 102980228
6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426
5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
CID 107087885

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine?
The IUPAC name of 6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine (CID 155134591) is 6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine?
The canonical SMILES for 6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine is Nc1ccc(Oc2ccc(S(F)(F)(F)(F)F)cc2Cl)nc1.
What is the InChIKey of 6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine?
The InChIKey is YYHIVWOMCSNMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF5N2OS/c12-9-5-8(21(13,14,15,16)17)2-3-10(9)20-11-4-1-7(18)6-19-11/h1-6H,18H2.
What are the key properties of 6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine?
6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine has a molecular weight of 346.71 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 155134591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).