5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid

C13H8ClF2NO3 — CID 172564528

IUPAC5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid
SMILESO=C(O)c1cc(Cl)c(COc2ccc(F)cn2)cc1F
InChIInChI=1S/C13H8ClF2NO3/c14-10-4-9(13(18)19)11(16)3-7(10)6-20-12-2-1-8(15)5-17-12/h1-5H,6H2,(H,18,19)
InChIKeyAQXHTKJMKXNTRN-UHFFFAOYSA-N
MW299.66 g/mol
LogP3.29
Rot. Bonds4

About 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid

5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid (PubChem CID 172564528) has the molecular formula C13H8ClF2NO3 and a molecular weight of 299.66 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid
PubChem CID172564528
Molecular FormulaC13H8ClF2NO3
Molecular Weight299.66 g/mol
Exact Mass299.02
IUPAC Name5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid
SMILESO=C(O)c1cc(Cl)c(COc2ccc(F)cn2)cc1F
InChIInChI=1S/C13H8ClF2NO3/c14-10-4-9(13(18)19)11(16)3-7(10)6-20-12-2-1-8(15)5-17-12/h1-5H,6H2,(H,18,19)
InChIKeyAQXHTKJMKXNTRN-UHFFFAOYSA-N
XLogP3.29
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.66
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate
CID 172564337
2-[(2-chloro-5-fluoro-4-isocyanatophenyl)methoxy]-5-fluoropyridine
CID 172564263
5-chloro-4-[(3-chloro-4-methylphenoxy)methyl]-2-fluorobenzoic acid
CID 118501542
2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid
CID 107677466
2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide
CID 167200495
2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 90329310
4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102615075
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398552
2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212951
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
4-[(2-chloro-4-cyanophenyl)methoxy]-2-fluorobenzoic acid
CID 107675307

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid?
The IUPAC name of 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid (CID 172564528) is 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid.
What is the SMILES notation for 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid?
The canonical SMILES for 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid is O=C(O)c1cc(Cl)c(COc2ccc(F)cn2)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid?
The InChIKey is AQXHTKJMKXNTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO3/c14-10-4-9(13(18)19)11(16)3-7(10)6-20-12-2-1-8(15)5-17-12/h1-5H,6H2,(H,18,19).
What are the key properties of 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid?
5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid has a molecular weight of 299.66 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid is sourced from PubChem (CID 172564528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).