N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine

C16H14ClN3OS — CID 162650831

IUPACN-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine
SMILESCSc1cc(C(=NO)c2ccc3c(ccn3C)c2)cc(Cl)n1
InChIInChI=1S/C16H14ClN3OS/c1-20-6-5-10-7-11(3-4-13(10)20)16(19-21)12-8-14(17)18-15(9-12)22-2/h3-9,21H,1-2H3
InChIKeyAMGCTCWXANIZCM-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.18
Rot. Bonds3

About N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine

N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine (PubChem CID 162650831) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine
PubChem CID162650831
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC NameN-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine
SMILESCSc1cc(C(=NO)c2ccc3c(ccn3C)c2)cc(Cl)n1
InChIInChI=1S/C16H14ClN3OS/c1-20-6-5-10-7-11(3-4-13(10)20)16(19-21)12-8-14(17)18-15(9-12)22-2/h3-9,21H,1-2H3
InChIKeyAMGCTCWXANIZCM-UHFFFAOYSA-N
XLogP4.18
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.18
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine (CID 162650831) is N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine is CSc1cc(C(=NO)c2ccc3c(ccn3C)c2)cc(Cl)n1.
What is the InChIKey of N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine?
The InChIKey is AMGCTCWXANIZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-20-6-5-10-7-11(3-4-13(10)20)16(19-21)12-8-14(17)18-15(9-12)22-2/h3-9,21H,1-2H3.
What are the key properties of N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine?
N-[(2-chloro-6-methylsulfanyl-4-pyridinyl)-(1-methylindol-5-yl)methylidene]hydroxylamine has a molecular weight of 331.83 g/mol, XLogP of 4.18, 3 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)-(1-methylindol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 162650831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).