methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate

C15H14FNO3 — CID 58368256

IUPACmethyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2cccc(F)c2)nc1C
InChIInChI=1S/C15H14FNO3/c1-10-13(15(18)19-2)6-7-14(17-10)20-9-11-4-3-5-12(16)8-11/h3-8H,9H2,1-2H3
InChIKeyHQKLMFYFSAPRLI-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.89
Rot. Bonds4

About methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate

methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate (PubChem CID 58368256) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate
PubChem CID58368256
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Namemethyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2cccc(F)c2)nc1C
InChIInChI=1S/C15H14FNO3/c1-10-13(15(18)19-2)6-7-14(17-10)20-9-11-4-3-5-12(16)8-11/h3-8H,9H2,1-2H3
InChIKeyHQKLMFYFSAPRLI-UHFFFAOYSA-N
XLogP2.89
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate (CID 58368256) is methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(OCc2cccc(F)c2)nc1C.
What is the InChIKey of methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate?
The InChIKey is HQKLMFYFSAPRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-10-13(15(18)19-2)6-7-14(17-10)20-9-11-4-3-5-12(16)8-11/h3-8H,9H2,1-2H3.
What are the key properties of methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate?
methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 58368256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).