(3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate

C19H14FNO3 — CID 122204218

IUPAC(3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2cccc(F)c2Oc2ccccn2)cc1
InChIInChI=1S/C19H14FNO3/c1-13-8-10-14(11-9-13)19(22)23-16-6-4-5-15(20)18(16)24-17-7-2-3-12-21-17/h2-12H,1H3
InChIKeyRORMXHWWXWLHBG-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.54
Rot. Bonds4

About (3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate

(3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate (PubChem CID 122204218) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is (3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate.

Molecular Properties

Compound Name(3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate
PubChem CID122204218
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name(3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2cccc(F)c2Oc2ccccn2)cc1
InChIInChI=1S/C19H14FNO3/c1-13-8-10-14(11-9-13)19(22)23-16-6-4-5-15(20)18(16)24-17-7-2-3-12-21-17/h2-12H,1H3
InChIKeyRORMXHWWXWLHBG-UHFFFAOYSA-N
XLogP4.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nicotinic acid, 3-methylphenyl ester
CID 532681
4-Formyl-2-methoxyphenyl pyridine-3-carboxylate
CID 889780
2-Methylphenyl nicotinate
CID 829373
2,5-Dimethylphenyl isonicotinate
CID 821673
3-[(E)-3-[1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-yl]prop-2-enoyl]-8-methoxychromen-2-one chloride
CID 71452366
2,5-Dimethylphenyl nicotinate
CID 835400
Methyl 4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}benzenecarboxylate
CID 1479736
1-(3,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5468167
4-Fluorophenyl pyridine-3-carboxylate
CID 5043073
2-(Phenoxycarbonyl)phenyl nicotinate
CID 836329
4-(Methoxycarbonyl)phenyl 4-(5-pentylpyridin-2-yl)benzoate
CID 3288209
4-Propoxyphenyl 4-(5-propylpyridin-2-YL)benzoate
CID 4015599

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate?
The IUPAC name of (3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate (CID 122204218) is (3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate.
What is the SMILES notation for (3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate?
The canonical SMILES for (3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate is Cc1ccc(C(=O)Oc2cccc(F)c2Oc2ccccn2)cc1.
What is the InChIKey of (3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate?
The InChIKey is RORMXHWWXWLHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-13-8-10-14(11-9-13)19(22)23-16-6-4-5-15(20)18(16)24-17-7-2-3-12-21-17/h2-12H,1H3.
What are the key properties of (3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate?
(3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate has a molecular weight of 323.32 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-pyridin-2-yloxyphenyl) 4-methylbenzoate is sourced from PubChem (CID 122204218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).