N-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine

C12H6Cl2F2N2O — CID 163378684

IUPACN-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine
SMILESON=Cc1cc(-c2ncc(F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C12H6Cl2F2N2O/c13-9-3-11(16)8(1-6(9)4-18-19)12-10(14)2-7(15)5-17-12/h1-5,19H
InChIKeyJNIIADYNYZDLAE-UHFFFAOYSA-N
MW303.10 g/mol
LogP4.14
Rot. Bonds2

About N-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine

N-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine (PubChem CID 163378684) has the molecular formula C12H6Cl2F2N2O and a molecular weight of 303.10 g/mol. Its IUPAC name is N-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine
PubChem CID163378684
Molecular FormulaC12H6Cl2F2N2O
Molecular Weight303.10 g/mol
Exact Mass301.98
IUPAC NameN-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine
SMILESON=Cc1cc(-c2ncc(F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C12H6Cl2F2N2O/c13-9-3-11(16)8(1-6(9)4-18-19)12-10(14)2-7(15)5-17-12/h1-5,19H
InChIKeyJNIIADYNYZDLAE-UHFFFAOYSA-N
XLogP4.14
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine (CID 163378684) is N-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine is ON=Cc1cc(-c2ncc(F)cc2Cl)c(F)cc1Cl.
What is the InChIKey of N-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine?
The InChIKey is JNIIADYNYZDLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F2N2O/c13-9-3-11(16)8(1-6(9)4-18-19)12-10(14)2-7(15)5-17-12/h1-5,19H.
What are the key properties of N-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine?
N-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine has a molecular weight of 303.10 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine is sourced from PubChem (CID 163378684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).