4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine

C14H12FN3O — CID 57023402

IUPAC4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine
SMILESCOc1ccc2cn(Nc3ccncc3)cc2c1F
InChIInChI=1S/C14H12FN3O/c1-19-13-3-2-10-8-18(9-12(10)14(13)15)17-11-4-6-16-7-5-11/h2-9H,1H3,(H,16,17)
InChIKeyRMVMUSCTDBUMLF-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.06
Rot. Bonds3

About 4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine

4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine (PubChem CID 57023402) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine
PubChem CID57023402
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine
SMILESCOc1ccc2cn(Nc3ccncc3)cc2c1F
InChIInChI=1S/C14H12FN3O/c1-19-13-3-2-10-8-18(9-12(10)14(13)15)17-11-4-6-16-7-5-11/h2-9H,1H3,(H,16,17)
InChIKeyRMVMUSCTDBUMLF-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine?
The IUPAC name of 4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine (CID 57023402) is 4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine?
The canonical SMILES for 4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine is COc1ccc2cn(Nc3ccncc3)cc2c1F.
What is the InChIKey of 4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine?
The InChIKey is RMVMUSCTDBUMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-19-13-3-2-10-8-18(9-12(10)14(13)15)17-11-4-6-16-7-5-11/h2-9H,1H3,(H,16,17).
What are the key properties of 4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine?
4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine has a molecular weight of 257.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-N-pyridin-4-ylisoindol-2-amine is sourced from PubChem (CID 57023402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).