2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid

C12H6Cl2FNO2 — CID 118813640

IUPAC2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(F)nc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H6Cl2FNO2/c13-6-1-3-9(14)8(5-6)11-7(12(17)18)2-4-10(15)16-11/h1-5H,(H,17,18)
InChIKeyNOOREENYTOHDLH-UHFFFAOYSA-N
MW286.09 g/mol
LogP3.89
Rot. Bonds2

About 2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid

2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid (PubChem CID 118813640) has the molecular formula C12H6Cl2FNO2 and a molecular weight of 286.09 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
PubChem CID118813640
Molecular FormulaC12H6Cl2FNO2
Molecular Weight286.09 g/mol
Exact Mass284.98
IUPAC Name2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(F)nc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H6Cl2FNO2/c13-6-1-3-9(14)8(5-6)11-7(12(17)18)2-4-10(15)16-11/h1-5H,(H,17,18)
InChIKeyNOOREENYTOHDLH-UHFFFAOYSA-N
XLogP3.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 133090909
4-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211133
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 133090645
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
2-(2,6-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
CID 118836187
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333223
4-chloro-2-(2,3,4-trifluorophenyl)benzoic acid
CID 114024694
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118847412
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid (CID 118813640) is 2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid is O=C(O)c1ccc(F)nc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid?
The InChIKey is NOOREENYTOHDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO2/c13-6-1-3-9(14)8(5-6)11-7(12(17)18)2-4-10(15)16-11/h1-5H,(H,17,18).
What are the key properties of 2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid?
2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid has a molecular weight of 286.09 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 118813640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).