(NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine

C9H11FN2O — CID 155051634

IUPAC(NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine
SMILESCCCc1ccc(F)c(/C=N/O)n1
InChIInChI=1S/C9H11FN2O/c1-2-3-7-4-5-8(10)9(12-7)6-11-13/h4-6,13H,2-3H2,1H3/b11-6+
InChIKeyXBHYIXOQMWZHKU-IZZDOVSWSA-N
MW182.20 g/mol
LogP1.98
Rot. Bonds3

About (NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine

(NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine (PubChem CID 155051634) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is (NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine
PubChem CID155051634
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name(NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine
SMILESCCCc1ccc(F)c(/C=N/O)n1
InChIInChI=1S/C9H11FN2O/c1-2-3-7-4-5-8(10)9(12-7)6-11-13/h4-6,13H,2-3H2,1H3/b11-6+
InChIKeyXBHYIXOQMWZHKU-IZZDOVSWSA-N
XLogP1.98
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.98
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 (NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine (CID 155051634) is (NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine is CCCc1ccc(F)c(/C=N/O)n1.
What is the InChIKey of (NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine?
The InChIKey is XBHYIXOQMWZHKU-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-2-3-7-4-5-8(10)9(12-7)6-11-13/h4-6,13H,2-3H2,1H3/b11-6+.
What are the key properties of (NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine?
(NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine has a molecular weight of 182.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-fluoro-6-propyl-2-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 155051634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).