[6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine

C13H13FN2O — CID 84695528

IUPAC[6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine
SMILESCOc1nc(-c2ccccc2F)ccc1CN
InChIInChI=1S/C13H13FN2O/c1-17-13-9(8-15)6-7-12(16-13)10-4-2-3-5-11(10)14/h2-7H,8,15H2,1H3
InChIKeyCKQBBWHDRXSVBQ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.36
Rot. Bonds3

About [6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine

[6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine (PubChem CID 84695528) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine
PubChem CID84695528
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine
SMILESCOc1nc(-c2ccccc2F)ccc1CN
InChIInChI=1S/C13H13FN2O/c1-17-13-9(8-15)6-7-12(16-13)10-4-2-3-5-11(10)14/h2-7H,8,15H2,1H3
InChIKeyCKQBBWHDRXSVBQ-UHFFFAOYSA-N
XLogP2.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine?
The IUPAC name of [6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine (CID 84695528) is [6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine?
The canonical SMILES for [6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine is COc1nc(-c2ccccc2F)ccc1CN.
What is the InChIKey of [6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine?
The InChIKey is CKQBBWHDRXSVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-17-13-9(8-15)6-7-12(16-13)10-4-2-3-5-11(10)14/h2-7H,8,15H2,1H3.
What are the key properties of [6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine?
[6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine has a molecular weight of 232.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine is sourced from PubChem (CID 84695528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).