[2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium

C11H10FN3O — CID 169023037

IUPAC[2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium
SMILES[O-][NH2+]c1ccnc(Nc2cccc(F)c2)c1
InChIInChI=1S/C11H10FN3O/c12-8-2-1-3-9(6-8)14-11-7-10(15-16)4-5-13-11/h1-7H,15H2,(H,13,14)
InChIKeyBYQIYOHSWRNPQP-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.66
Rot. Bonds3

About [2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium

[2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium (PubChem CID 169023037) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium
PubChem CID169023037
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name[2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium
SMILES[O-][NH2+]c1ccnc(Nc2cccc(F)c2)c1
InChIInChI=1S/C11H10FN3O/c12-8-2-1-3-9(6-8)14-11-7-10(15-16)4-5-13-11/h1-7H,15H2,(H,13,14)
InChIKeyBYQIYOHSWRNPQP-UHFFFAOYSA-N
XLogP1.66
TPSA64.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methylanilino)-4-pyridinyl]-oxidoazanium
CID 169022872
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
2-N-(2-bromophenyl)-4-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112906278
4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
CID 112856315
6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281980
N-(3-fluorophenyl)-6-methylpyridin-2-amine
CID 119089651
3-fluoro-N-phenylaniline
CID 2774466
4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine
CID 67388887
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
N-[(4-chlorophenyl)methyl]-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109170915
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112899930

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium?
The IUPAC name of [2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium (CID 169023037) is [2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium.
What is the SMILES notation for [2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium?
The canonical SMILES for [2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium is [O-][NH2+]c1ccnc(Nc2cccc(F)c2)c1.
What is the InChIKey of [2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium?
The InChIKey is BYQIYOHSWRNPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-8-2-1-3-9(6-8)14-11-7-10(15-16)4-5-13-11/h1-7H,15H2,(H,13,14).
What are the key properties of [2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium?
[2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium has a molecular weight of 219.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium is sourced from PubChem (CID 169023037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).