2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid

C12H6ClF2NO3 — CID 67367227

IUPAC2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H6ClF2NO3/c13-9-4-7(1-2-10(9)15)19-11-8(12(17)18)3-6(14)5-16-11/h1-5H,(H,17,18)
InChIKeyBTRSGSKLOAIJPQ-UHFFFAOYSA-N
MW285.63 g/mol
LogP3.50
Rot. Bonds3

About 2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid

2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid (PubChem CID 67367227) has the molecular formula C12H6ClF2NO3 and a molecular weight of 285.63 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid
PubChem CID67367227
Molecular FormulaC12H6ClF2NO3
Molecular Weight285.63 g/mol
Exact Mass285.00
IUPAC Name2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H6ClF2NO3/c13-9-4-7(1-2-10(9)15)19-11-8(12(17)18)3-6(14)5-16-11/h1-5H,(H,17,18)
InChIKeyBTRSGSKLOAIJPQ-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

2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
2-(3-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367395
5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114034145
2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034131
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034139
5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid
CID 114047617
4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid
CID 114213929
2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid
CID 114034149
1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone
CID 142274002
5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114896165
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid (CID 67367227) is 2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid?
The InChIKey is BTRSGSKLOAIJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2NO3/c13-9-4-7(1-2-10(9)15)19-11-8(12(17)18)3-6(14)5-16-11/h1-5H,(H,17,18).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid?
2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-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 2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 67367227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).