4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid

C13H9F2NO3 — CID 63886141

IUPAC4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(COc2cc(F)cc(F)c2)ccn1
InChIInChI=1S/C13H9F2NO3/c14-9-4-10(15)6-11(5-9)19-7-8-1-2-16-12(3-8)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyXXCQZMSIYYIUHB-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.64
Rot. Bonds4

About 4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid

4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 63886141) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID63886141
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(COc2cc(F)cc(F)c2)ccn1
InChIInChI=1S/C13H9F2NO3/c14-9-4-10(15)6-11(5-9)19-7-8-1-2-16-12(3-8)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyXXCQZMSIYYIUHB-UHFFFAOYSA-N
XLogP2.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359
4-[(3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63884784
4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 63886132
4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63884780
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid
CID 63885745
4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
CID 139035417
4-[(3,5-difluorophenyl)methoxy]benzoic acid
CID 112694437
4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63885169
4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62786008
4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 63886335
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid (CID 63886141) is 4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid is O=C(O)c1cc(COc2cc(F)cc(F)c2)ccn1.
What is the InChIKey of 4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is XXCQZMSIYYIUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-9-4-10(15)6-11(5-9)19-7-8-1-2-16-12(3-8)13(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid?
4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 265.22 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63886141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).