methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate

C20H22FNO4 — CID 57467658

IUPACmethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(OC)ncc2F)c(C2(CO)CCCC2)c1
InChIInChI=1S/C20H22FNO4/c1-25-18-10-15(17(21)11-22-18)14-6-5-13(19(24)26-2)9-16(14)20(12-23)7-3-4-8-20/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3
InChIKeyCDOONTWVKUENFO-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.49
Rot. Bonds5

About methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate

methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate (PubChem CID 57467658) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate.

Molecular Properties

Compound Namemethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate
PubChem CID57467658
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Namemethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(OC)ncc2F)c(C2(CO)CCCC2)c1
InChIInChI=1S/C20H22FNO4/c1-25-18-10-15(17(21)11-22-18)14-6-5-13(19(24)26-2)9-16(14)20(12-23)7-3-4-8-20/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3
InChIKeyCDOONTWVKUENFO-UHFFFAOYSA-N
XLogP3.49
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate?
The IUPAC name of methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate (CID 57467658) is methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate.
What is the SMILES notation for methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate?
The canonical SMILES for methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate is COC(=O)c1ccc(-c2cc(OC)ncc2F)c(C2(CO)CCCC2)c1.
What is the InChIKey of methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate?
The InChIKey is CDOONTWVKUENFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-25-18-10-15(17(21)11-22-18)14-6-5-13(19(24)26-2)9-16(14)20(12-23)7-3-4-8-20/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3.
What are the key properties of methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate?
methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate has a molecular weight of 359.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[1-(hydroxymethyl)cyclopentyl]benzoate is sourced from PubChem (CID 57467658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).