methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate

C15H14FNO3 — CID 146456405

IUPACmethyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate
SMILESCOC(=O)c1cc(CO)cc(-c2cnc(F)cc2C)c1
InChIInChI=1S/C15H14FNO3/c1-9-3-14(16)17-7-13(9)11-4-10(8-18)5-12(6-11)15(19)20-2/h3-7,18H,8H2,1-2H3
InChIKeyMNOIZZRQWFSYAS-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.48
Rot. Bonds3

About methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate

methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate (PubChem CID 146456405) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate
PubChem CID146456405
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Namemethyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate
SMILESCOC(=O)c1cc(CO)cc(-c2cnc(F)cc2C)c1
InChIInChI=1S/C15H14FNO3/c1-9-3-14(16)17-7-13(9)11-4-10(8-18)5-12(6-11)15(19)20-2/h3-7,18H,8H2,1-2H3
InChIKeyMNOIZZRQWFSYAS-UHFFFAOYSA-N
XLogP2.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-formyl-4-[3-(hydroxymethyl)-5-methoxycarbonylphenyl]benzoate
CID 132602241
methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate
CID 146457057
methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
CID 127263097
ethane;methyl 3-amino-5-(hydroxymethyl)benzoate
CID 145485073
methyl 3-(4-cyclopropyl-6-fluoro-3-pyridinyl)benzoate
CID 175305187
methyl 3-(hydroxymethyl)-5-nitrobenzoate
CID 10703703
(3-fluoro-5-iodophenyl)methanol;methyl 3-fluoro-5-iodobenzoate
CID 118049798
3-(2-cyano-4-methylphenyl)-5-(hydroxymethyl)benzoic acid;3-(2-cyano-4-methylphenyl)-5-(hydroxymethyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide;dimethyl 5-(2-cyano-4-methylphenyl)benzene-1,3-dicarboxylate;methyl 3-(2-cyano-4-methylphenyl)-5-(hydroxymethyl)benzoate
CID 158148427
methyl 3-[2-(3-methoxycarbonyl-5-methylphenyl)ethyl]-5-methylbenzoate
CID 118119638
[6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate
CID 161018537
methyl 3-methyl-5-(2-methylphenyl)benzoate
CID 158969225
methyl 5-(6-fluoro-3-pyridinyl)pyridine-3-carboxylate
CID 169408037

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate?
The IUPAC name of methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate (CID 146456405) is methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate.
What is the SMILES notation for methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate?
The canonical SMILES for methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate is COC(=O)c1cc(CO)cc(-c2cnc(F)cc2C)c1.
What is the InChIKey of methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate?
The InChIKey is MNOIZZRQWFSYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-3-14(16)17-7-13(9)11-4-10(8-18)5-12(6-11)15(19)20-2/h3-7,18H,8H2,1-2H3.
What are the key properties of methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate?
methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate has a molecular weight of 275.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-fluoro-4-methyl-3-pyridinyl)-5-(hydroxymethyl)benzoate is sourced from PubChem (CID 146456405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).