[5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol

C17H18FNO2 — CID 130388081

IUPAC[5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol
SMILESCCOc1nc(-c2ccc(F)cc2)c(C2CC2)cc1CO
InChIInChI=1S/C17H18FNO2/c1-2-21-17-13(10-20)9-15(11-3-4-11)16(19-17)12-5-7-14(18)8-6-12/h5-9,11,20H,2-4,10H2,1H3
InChIKeyYRQAKYDCMZZHGB-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.66
Rot. Bonds5

About [5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol

[5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol (PubChem CID 130388081) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol
PubChem CID130388081
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol
SMILESCCOc1nc(-c2ccc(F)cc2)c(C2CC2)cc1CO
InChIInChI=1S/C17H18FNO2/c1-2-21-17-13(10-20)9-15(11-3-4-11)16(19-17)12-5-7-14(18)8-6-12/h5-9,11,20H,2-4,10H2,1H3
InChIKeyYRQAKYDCMZZHGB-UHFFFAOYSA-N
XLogP3.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol (CID 130388081) is [5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol is CCOc1nc(-c2ccc(F)cc2)c(C2CC2)cc1CO.
What is the InChIKey of [5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol?
The InChIKey is YRQAKYDCMZZHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-2-21-17-13(10-20)9-15(11-3-4-11)16(19-17)12-5-7-14(18)8-6-12/h5-9,11,20H,2-4,10H2,1H3.
What are the key properties of [5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol?
[5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol has a molecular weight of 287.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 130388081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).