N-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine

C7H3ClF4N2O — CID 171397524

IUPACN-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine
SMILESON=Cc1cc(C(F)(F)F)nc(Cl)c1F
InChIInChI=1S/C7H3ClF4N2O/c8-6-5(9)3(2-13-15)1-4(14-6)7(10,11)12/h1-2,15H
InChIKeyMTEBFVOMYBJSMU-UHFFFAOYSA-N
MW242.56 g/mol
LogP2.70
Rot. Bonds1

About N-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine

N-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine (PubChem CID 171397524) has the molecular formula C7H3ClF4N2O and a molecular weight of 242.56 g/mol. Its IUPAC name is N-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine
PubChem CID171397524
Molecular FormulaC7H3ClF4N2O
Molecular Weight242.56 g/mol
Exact Mass241.99
IUPAC NameN-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine
SMILESON=Cc1cc(C(F)(F)F)nc(Cl)c1F
InChIInChI=1S/C7H3ClF4N2O/c8-6-5(9)3(2-13-15)1-4(14-6)7(10,11)12/h1-2,15H
InChIKeyMTEBFVOMYBJSMU-UHFFFAOYSA-N
XLogP2.70
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.56
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine (CID 171397524) is N-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine is ON=Cc1cc(C(F)(F)F)nc(Cl)c1F.
What is the InChIKey of N-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine?
The InChIKey is MTEBFVOMYBJSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF4N2O/c8-6-5(9)3(2-13-15)1-4(14-6)7(10,11)12/h1-2,15H.
What are the key properties of N-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine?
N-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine has a molecular weight of 242.56 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 171397524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).