3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid

C18H10Cl2FNO3 — CID 66858904

IUPAC3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid
SMILESO=C(O)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1F
InChIInChI=1S/C18H10Cl2FNO3/c19-10-7-8-15(13(20)9-10)25-16-6-2-5-14(22-16)11-3-1-4-12(17(11)21)18(23)24/h1-9H,(H,23,24)
InChIKeyLIABKHWUERWFQX-UHFFFAOYSA-N
MW378.19 g/mol
LogP5.68
Rot. Bonds4

About 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid

3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid (PubChem CID 66858904) has the molecular formula C18H10Cl2FNO3 and a molecular weight of 378.19 g/mol. Its IUPAC name is 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid
PubChem CID66858904
Molecular FormulaC18H10Cl2FNO3
Molecular Weight378.19 g/mol
Exact Mass377.00
IUPAC Name3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid
SMILESO=C(O)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1F
InChIInChI=1S/C18H10Cl2FNO3/c19-10-7-8-15(13(20)9-10)25-16-6-2-5-14(22-16)11-3-1-4-12(17(11)21)18(23)24/h1-9H,(H,23,24)
InChIKeyLIABKHWUERWFQX-UHFFFAOYSA-N
XLogP5.68
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.19
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid
CID 66857600
methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate
CID 66857367
2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 59585047
5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid
CID 63591158
2-amino-3-(2,4-dichlorophenoxy)benzoic acid
CID 113333260
[6-(2,4-dichlorophenoxy)-2-pyridinyl]methanol
CID 62240040
6-(2,4-dichlorophenoxy)pyridin-2-amine
CID 80653433
N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide
CID 58103248
6-(2,4-dichlorophenoxy)-3-methylpyridine-2-carboxylic acid
CID 70146430
3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride
CID 134617901
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide
CID 58103338
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid?
The IUPAC name of 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid (CID 66858904) is 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid.
What is the SMILES notation for 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid?
The canonical SMILES for 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid is O=C(O)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1F.
What is the InChIKey of 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid?
The InChIKey is LIABKHWUERWFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2FNO3/c19-10-7-8-15(13(20)9-10)25-16-6-2-5-14(22-16)11-3-1-4-12(17(11)21)18(23)24/h1-9H,(H,23,24).
What are the key properties of 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid?
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid has a molecular weight of 378.19 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid is sourced from PubChem (CID 66858904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).