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

C14H12FNO3 — CID 104637795

IUPAC4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
SMILESCc1ccc(OCc2cc(F)ccc2C(=O)O)cn1
InChIInChI=1S/C14H12FNO3/c1-9-2-4-12(7-16-9)19-8-10-6-11(15)3-5-13(10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyJUSQRFDZOSOBOU-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.81
Rot. Bonds4

About 4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid

4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid (PubChem CID 104637795) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
PubChem CID104637795
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
SMILESCc1ccc(OCc2cc(F)ccc2C(=O)O)cn1
InChIInChI=1S/C14H12FNO3/c1-9-2-4-12(7-16-9)19-8-10-6-11(15)3-5-13(10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyJUSQRFDZOSOBOU-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

5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 55173092
2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 62073745
4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 104637832
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
5-[(5-fluoro-2-methylphenyl)methoxy]pyridine-2-carboxylic acid
CID 105371812
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
4-[(2-bromo-5-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 107671314
5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
CID 63292702
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 107908427
3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
CID 63640004
2-ethyl-4-fluorobenzoic acid
CID 22101376

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid?
The IUPAC name of 4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid (CID 104637795) is 4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid is Cc1ccc(OCc2cc(F)ccc2C(=O)O)cn1.
What is the InChIKey of 4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid?
The InChIKey is JUSQRFDZOSOBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-9-2-4-12(7-16-9)19-8-10-6-11(15)3-5-13(10)14(17)18/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid?
4-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 4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid is sourced from PubChem (CID 104637795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).