2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid

C12H6Cl2FNO3 — CID 114034131

IUPAC2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H6Cl2FNO3/c13-6-1-7(14)3-9(2-6)19-11-10(12(17)18)4-8(15)5-16-11/h1-5H,(H,17,18)
InChIKeyDMPOLFAPVHUBQP-UHFFFAOYSA-N
MW302.09 g/mol
LogP4.02
Rot. Bonds3

About 2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid

2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid (PubChem CID 114034131) has the molecular formula C12H6Cl2FNO3 and a molecular weight of 302.09 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid
PubChem CID114034131
Molecular FormulaC12H6Cl2FNO3
Molecular Weight302.09 g/mol
Exact Mass300.97
IUPAC Name2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H6Cl2FNO3/c13-6-1-7(14)3-9(2-6)19-11-10(12(17)18)4-8(15)5-16-11/h1-5H,(H,17,18)
InChIKeyDMPOLFAPVHUBQP-UHFFFAOYSA-N
XLogP4.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367395
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367227
5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114034145
2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034139
2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid
CID 114034149
6-chloro-2-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376747
5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine-3-carboxylic acid
CID 133089990
1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone
CID 142274002
4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81225523
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid
CID 114047617

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid (CID 114034131) is 2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid?
The InChIKey is DMPOLFAPVHUBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO3/c13-6-1-7(14)3-9(2-6)19-11-10(12(17)18)4-8(15)5-16-11/h1-5H,(H,17,18).
What are the key properties of 2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid?
2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid has a molecular weight of 302.09 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 114034131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).