2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol

C15H17FN2O2 — CID 75385575

IUPAC2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(OCCF)c2)n1
InChIInChI=1S/C15H17FN2O2/c1-11-5-6-15(19)14(18-11)10-17-12-3-2-4-13(9-12)20-8-7-16/h2-6,9,17,19H,7-8,10H2,1H3
InChIKeyJRSAJTVUPVCPHU-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.06
Rot. Bonds6

About 2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol

2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol (PubChem CID 75385575) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol
PubChem CID75385575
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(OCCF)c2)n1
InChIInChI=1S/C15H17FN2O2/c1-11-5-6-15(19)14(18-11)10-17-12-3-2-4-13(9-12)20-8-7-16/h2-6,9,17,19H,7-8,10H2,1H3
InChIKeyJRSAJTVUPVCPHU-UHFFFAOYSA-N
XLogP3.06
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol (CID 75385575) is 2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNc2cccc(OCCF)c2)n1.
What is the InChIKey of 2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol?
The InChIKey is JRSAJTVUPVCPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-11-5-6-15(19)14(18-11)10-17-12-3-2-4-13(9-12)20-8-7-16/h2-6,9,17,19H,7-8,10H2,1H3.
What are the key properties of 2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol?
2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol has a molecular weight of 276.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-fluoroethoxy)anilino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 75385575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).