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

C12H6ClF2NO3 — CID 107063249

IUPAC3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C12H6ClF2NO3/c13-10-7(12(17)18)3-4-16-11(10)19-9-2-1-6(14)5-8(9)15/h1-5H,(H,17,18)
InChIKeyYGNKIWZFTRECAC-UHFFFAOYSA-N
MW285.63 g/mol
LogP3.50
Rot. Bonds3

About 3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid

3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid (PubChem CID 107063249) has the molecular formula C12H6ClF2NO3 and a molecular weight of 285.63 g/mol. Its IUPAC name is 3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
PubChem CID107063249
Molecular FormulaC12H6ClF2NO3
Molecular Weight285.63 g/mol
Exact Mass285.00
IUPAC Name3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C12H6ClF2NO3/c13-10-7(12(17)18)3-4-16-11(10)19-9-2-1-6(14)5-8(9)15/h1-5H,(H,17,18)
InChIKeyYGNKIWZFTRECAC-UHFFFAOYSA-N
XLogP3.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.63
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
CID 107063256
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063355
2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063534
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063604
2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063613
2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063252
3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 107714129
4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 43325985
5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733253
2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid
CID 107016480
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-4-fluorobenzoic acid
CID 107016574

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid (CID 107063249) is 3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Oc2ccc(F)cc2F)c1Cl.
What is the InChIKey of 3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid?
The InChIKey is YGNKIWZFTRECAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2NO3/c13-10-7(12(17)18)3-4-16-11(10)19-9-2-1-6(14)5-8(9)15/h1-5H,(H,17,18).
What are the key properties of 3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid?
3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid has a molecular weight of 285.63 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 107063249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).