N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine

C14H13ClN2O2S — CID 162663629

IUPACN-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(C(=NO)c2cc(Cl)nc(SC)c2)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-19-11-5-3-9(4-6-11)14(17-18)10-7-12(15)16-13(8-10)20-2/h3-8,18H,1-2H3
InChIKeyGAFJYXGZMJMGQH-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.69
Rot. Bonds4

About N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine

N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 162663629) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine
PubChem CID162663629
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(C(=NO)c2cc(Cl)nc(SC)c2)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-19-11-5-3-9(4-6-11)14(17-18)10-7-12(15)16-13(8-10)20-2/h3-8,18H,1-2H3
InChIKeyGAFJYXGZMJMGQH-UHFFFAOYSA-N
XLogP3.69
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(4-Chloro-phenyl)-3-cyano-6-(4-methoxy-phenyl)-pyridin-2-ylsulfanyl]-acetic acid
CID 1147343
4-[1-(4-Methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine
CID 162649836
N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine
CID 162650517
2-Chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine
CID 162667474
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-2,6-bis(methylsulfanyl)pyridine
CID 162667697
4-[1-(4-Methoxyphenyl)ethyl]-2,6-bis(methylsulfanyl)pyridine
CID 162644218
(2-Chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methanone
CID 162645445
2-Ethylsulfanyl-6-(4-methoxy-phenyl)-nicotinonitrile
CID 653669
2-[(E)-2-(2-chlorophenyl)ethenyl]sulfonyl-6-methoxypyridine
CID 172458207
2-(4-Methoxyphenyl)-6-methylsulfanylpyridine
CID 12183683
2-[[(4-Chlorophenyl)methyl]thio]-4-(4-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile
CID 1861692
2-[(2-Chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 1889711

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine (CID 162663629) is N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine is COc1ccc(C(=NO)c2cc(Cl)nc(SC)c2)cc1.
What is the InChIKey of N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is GAFJYXGZMJMGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-19-11-5-3-9(4-6-11)14(17-18)10-7-12(15)16-13(8-10)20-2/h3-8,18H,1-2H3.
What are the key properties of N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine?
N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 308.79 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(4-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 162663629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).