4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid

C12H7F2NO3 — CID 43325985

IUPAC4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc(F)cc2F)ccn1
InChIInChI=1S/C12H7F2NO3/c13-7-1-2-11(9(14)5-7)18-8-3-4-15-10(6-8)12(16)17/h1-6H,(H,16,17)
InChIKeyYXSZWHZQYWIMHX-UHFFFAOYSA-N
MW251.19 g/mol
LogP2.85
Rot. Bonds3

About 4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid

4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid (PubChem CID 43325985) has the molecular formula C12H7F2NO3 and a molecular weight of 251.19 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
PubChem CID43325985
Molecular FormulaC12H7F2NO3
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Name4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc(F)cc2F)ccn1
InChIInChI=1S/C12H7F2NO3/c13-7-1-2-11(9(14)5-7)18-8-3-4-15-10(6-8)12(16)17/h1-6H,(H,16,17)
InChIKeyYXSZWHZQYWIMHX-UHFFFAOYSA-N
XLogP2.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dichlorophenoxy)pyridine-2-carboxylic acid
CID 43325991
4-(4-hydroxyphenoxy)pyridine-2-carboxylic acid
CID 69017649
4-(2-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 43142917
4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 102747015
6-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 55053506
3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 107063249
4-(2-acetamidophenoxy)pyridine-2-carboxylic acid
CID 43142934
4-(2,5-difluorophenoxy)pyridine-2-carbothioamide
CID 55167363
3-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluoroanilino]-3-oxopropanoic acid
CID 141149507
1-[4-(2,4-difluorophenoxy)-2-pyridinyl]-N-methylmethanamine
CID 55058981
4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 63886335
4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 43326012

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid (CID 43325985) is 4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid is O=C(O)c1cc(Oc2ccc(F)cc2F)ccn1.
What is the InChIKey of 4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid?
The InChIKey is YXSZWHZQYWIMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO3/c13-7-1-2-11(9(14)5-7)18-8-3-4-15-10(6-8)12(16)17/h1-6H,(H,16,17).
What are the key properties of 4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid?
4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid has a molecular weight of 251.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 43325985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).