6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine

C14H12FN3O — CID 63291737

IUPAC6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1ccc(OC)nc1
InChIInChI=1S/C14H12FN3O/c1-19-13-5-4-11(7-17-13)18-8-9-2-3-10(15)6-12(9)14(18)16/h2-7,16H,8H2,1H3/b16-14+
InChIKeyLWQUGFYCJFNMST-JQIJEIRASA-N
MW257.27 g/mol
LogP2.57
Rot. Bonds2

About 6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine

6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine (PubChem CID 63291737) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine
PubChem CID63291737
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1ccc(OC)nc1
InChIInChI=1S/C14H12FN3O/c1-19-13-5-4-11(7-17-13)18-8-9-2-3-10(15)6-12(9)14(18)16/h2-7,16H,8H2,1H3/b16-14+
InChIKeyLWQUGFYCJFNMST-JQIJEIRASA-N
XLogP2.57
TPSA49.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine?
The IUPAC name of 6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine (CID 63291737) is 6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine.
What is the SMILES notation for 6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine?
The canonical SMILES for 6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine is [H]/N=C1\c2cc(F)ccc2CN1c1ccc(OC)nc1.
What is the InChIKey of 6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine?
The InChIKey is LWQUGFYCJFNMST-JQIJEIRASA-N. The full InChI is InChI=1S/C14H12FN3O/c1-19-13-5-4-11(7-17-13)18-8-9-2-3-10(15)6-12(9)14(18)16/h2-7,16H,8H2,1H3/b16-14+.
What are the key properties of 6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine?
6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine has a molecular weight of 257.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine is sourced from PubChem (CID 63291737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).