2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol

C17H19FN2O — CID 46988636

IUPAC2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol
SMILESC=CCN(Cc1ccc(F)cc1)Cc1nc(C)ccc1O
InChIInChI=1S/C17H19FN2O/c1-3-10-20(11-14-5-7-15(18)8-6-14)12-16-17(21)9-4-13(2)19-16/h3-9,21H,1,10-12H2,2H3
InChIKeyMWFGIMIMVRKZGW-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.42
Rot. Bonds6

About 2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol

2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 46988636) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol
PubChem CID46988636
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol
SMILESC=CCN(Cc1ccc(F)cc1)Cc1nc(C)ccc1O
InChIInChI=1S/C17H19FN2O/c1-3-10-20(11-14-5-7-15(18)8-6-14)12-16-17(21)9-4-13(2)19-16/h3-9,21H,1,10-12H2,2H3
InChIKeyMWFGIMIMVRKZGW-UHFFFAOYSA-N
XLogP3.42
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol (CID 46988636) is 2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol is C=CCN(Cc1ccc(F)cc1)Cc1nc(C)ccc1O.
What is the InChIKey of 2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is MWFGIMIMVRKZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-10-20(11-14-5-7-15(18)8-6-14)12-16-17(21)9-4-13(2)19-16/h3-9,21H,1,10-12H2,2H3.
What are the key properties of 2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol?
2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 286.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)methyl-prop-2-enylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 46988636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).