N-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine

C14H10F5N3O — CID 140553998

IUPACN-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ncc(Nc2c(F)cccc2C(F)(F)F)cc1F
InChIInChI=1S/C14H10F5N3O/c1-7(22-23)12-11(16)5-8(6-20-12)21-13-9(14(17,18)19)3-2-4-10(13)15/h2-6,21,23H,1H3
InChIKeyFSFAYNGJOJCTJB-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.32
Rot. Bonds3

About N-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine

N-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine (PubChem CID 140553998) has the molecular formula C14H10F5N3O and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine
PubChem CID140553998
Molecular FormulaC14H10F5N3O
Molecular Weight331.24 g/mol
Exact Mass331.07
IUPAC NameN-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ncc(Nc2c(F)cccc2C(F)(F)F)cc1F
InChIInChI=1S/C14H10F5N3O/c1-7(22-23)12-11(16)5-8(6-20-12)21-13-9(14(17,18)19)3-2-4-10(13)15/h2-6,21,23H,1H3
InChIKeyFSFAYNGJOJCTJB-UHFFFAOYSA-N
XLogP4.32
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine (CID 140553998) is N-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine is CC(=NO)c1ncc(Nc2c(F)cccc2C(F)(F)F)cc1F.
What is the InChIKey of N-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine?
The InChIKey is FSFAYNGJOJCTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N3O/c1-7(22-23)12-11(16)5-8(6-20-12)21-13-9(14(17,18)19)3-2-4-10(13)15/h2-6,21,23H,1H3.
What are the key properties of N-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine?
N-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine has a molecular weight of 331.24 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]ethylidene]hydroxylamine is sourced from PubChem (CID 140553998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).