6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine

C18H13FN4O — CID 20735521

IUPAC6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine
SMILES[C-]#[N+]c1cc(-c2ccc(OC)nc2)c(-c2cccc(F)c2)nc1N
InChIInChI=1S/C18H13FN4O/c1-21-15-9-14(12-6-7-16(24-2)22-10-12)17(23-18(15)20)11-4-3-5-13(19)8-11/h3-10H,2H3,(H2,20,23)
InChIKeyZHRZTHZGTPITCZ-UHFFFAOYSA-N
MW320.33 g/mol
LogP4.09
Rot. Bonds3

About 6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine

6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine (PubChem CID 20735521) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine
PubChem CID20735521
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine
SMILES[C-]#[N+]c1cc(-c2ccc(OC)nc2)c(-c2cccc(F)c2)nc1N
InChIInChI=1S/C18H13FN4O/c1-21-15-9-14(12-6-7-16(24-2)22-10-12)17(23-18(15)20)11-4-3-5-13(19)8-11/h3-10H,2H3,(H2,20,23)
InChIKeyZHRZTHZGTPITCZ-UHFFFAOYSA-N
XLogP4.09
TPSA65.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine (CID 20735521) is 6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine is [C-]#[N+]c1cc(-c2ccc(OC)nc2)c(-c2cccc(F)c2)nc1N.
What is the InChIKey of 6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The InChIKey is ZHRZTHZGTPITCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-21-15-9-14(12-6-7-16(24-2)22-10-12)17(23-18(15)20)11-4-3-5-13(19)8-11/h3-10H,2H3,(H2,20,23).
What are the key properties of 6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine?
6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine has a molecular weight of 320.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-isocyano-5-(6-methoxy-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 20735521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).