methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate

C14H12FNO3 — CID 164892253

IUPACmethyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(F)c(OCc2ccccc2)c1
InChIInChI=1S/C14H12FNO3/c1-18-14(17)11-7-12(13(15)16-8-11)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyMNXXNSDWMVLOEC-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.59
Rot. Bonds4

About methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate

methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate (PubChem CID 164892253) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
PubChem CID164892253
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namemethyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(F)c(OCc2ccccc2)c1
InChIInChI=1S/C14H12FNO3/c1-18-14(17)11-7-12(13(15)16-8-11)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyMNXXNSDWMVLOEC-UHFFFAOYSA-N
XLogP2.59
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
methyl 5-iodo-6-methyl-8-phenylmethoxyquinoline-3-carboxylate
CID 59898852
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate
CID 18791405
methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 151712376
methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate
CID 18973865
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate?
The IUPAC name of methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate (CID 164892253) is methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate is COC(=O)c1cnc(F)c(OCc2ccccc2)c1.
What is the InChIKey of methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate?
The InChIKey is MNXXNSDWMVLOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-18-14(17)11-7-12(13(15)16-8-11)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate?
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate has a molecular weight of 261.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate is sourced from PubChem (CID 164892253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).