methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate

C14H12FNO3 — CID 58368225

IUPACmethyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2ccc(F)cc2)nc1
InChIInChI=1S/C14H12FNO3/c1-18-14(17)11-4-7-13(16-8-11)19-9-10-2-5-12(15)6-3-10/h2-8H,9H2,1H3
InChIKeyITPOHUVCKBFVNY-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.59
Rot. Bonds4

About methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate

methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate (PubChem CID 58368225) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
PubChem CID58368225
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namemethyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2ccc(F)cc2)nc1
InChIInChI=1S/C14H12FNO3/c1-18-14(17)11-4-7-13(16-8-11)19-9-10-2-5-12(15)6-3-10/h2-8H,9H2,1H3
InChIKeyITPOHUVCKBFVNY-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

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Related Compounds

methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate
CID 18508353
methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate
CID 59042084
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638
methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
CID 58748868
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride
CID 166000008
methyl 4-[3-(4-fluorophenyl)propyl]benzoate
CID 58531347
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
CID 170307924
CID 170307924
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate (CID 58368225) is methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate is COC(=O)c1ccc(OCc2ccc(F)cc2)nc1.
What is the InChIKey of methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate?
The InChIKey is ITPOHUVCKBFVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-18-14(17)11-4-7-13(16-8-11)19-9-10-2-5-12(15)6-3-10/h2-8H,9H2,1H3.
What are the key properties of methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate?
methyl 6-[(4-fluorophenyl)methoxy]pyridine-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-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 58368225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).