5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid

C14H12FNO3 — CID 55173092

IUPAC5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
SMILESCc1ccc(OCc2ccc(F)cc2C(=O)O)cn1
InChIInChI=1S/C14H12FNO3/c1-9-2-5-12(7-16-9)19-8-10-3-4-11(15)6-13(10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyCXBGRXUOKITPLA-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.81
Rot. Bonds4

About 5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid

5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid (PubChem CID 55173092) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
PubChem CID55173092
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
SMILESCc1ccc(OCc2ccc(F)cc2C(=O)O)cn1
InChIInChI=1S/C14H12FNO3/c1-9-2-5-12(7-16-9)19-8-10-3-4-11(15)6-13(10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyCXBGRXUOKITPLA-UHFFFAOYSA-N
XLogP2.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 104637795
5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
CID 63292702
2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 62073745
5-[(5-fluoro-2-methylphenyl)methoxy]pyridine-2-carboxylic acid
CID 105371812
2-[(3-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221147
5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793811
1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone
CID 62073432
3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
CID 63640004
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 104637832
2-[(6-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 63568937

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid?
The IUPAC name of 5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid (CID 55173092) is 5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid is Cc1ccc(OCc2ccc(F)cc2C(=O)O)cn1.
What is the InChIKey of 5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid?
The InChIKey is CXBGRXUOKITPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-9-2-5-12(7-16-9)19-8-10-3-4-11(15)6-13(10)14(17)18/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid?
5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid has a molecular weight of 261.25 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid is sourced from PubChem (CID 55173092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).