2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid

C12H6Cl2FNO2 — CID 118847536

IUPAC2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(F)nc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H6Cl2FNO2/c13-8-3-1-2-7(11(8)14)9-4-6(12(17)18)5-10(15)16-9/h1-5H,(H,17,18)
InChIKeyPABIJOZADDNISM-UHFFFAOYSA-N
MW286.09 g/mol
LogP3.89
Rot. Bonds2

About 2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid

2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid (PubChem CID 118847536) has the molecular formula C12H6Cl2FNO2 and a molecular weight of 286.09 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid
PubChem CID118847536
Molecular FormulaC12H6Cl2FNO2
Molecular Weight286.09 g/mol
Exact Mass284.98
IUPAC Name2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(F)nc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H6Cl2FNO2/c13-8-3-1-2-7(11(8)14)9-4-6(12(17)18)5-10(15)16-9/h1-5H,(H,17,18)
InChIKeyPABIJOZADDNISM-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-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid
CID 118847710
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313699
3-amino-5-(2,3-dichlorophenyl)benzoic acid
CID 53227648
8-(2,3-dichlorophenyl)naphthalene-2-carboxylic acid
CID 58553759
5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63549537
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
2-[2-(2,3-dichlorophenyl)-6-methyl-4-pyridinyl]acetic acid
CID 118819375
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118852999
3-(2,3-dichlorophenyl)-5-nitrobenzoic acid
CID 53227665
5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 53223981
3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid
CID 70546030

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid (CID 118847536) is 2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid is O=C(O)c1cc(F)nc(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid?
The InChIKey is PABIJOZADDNISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO2/c13-8-3-1-2-7(11(8)14)9-4-6(12(17)18)5-10(15)16-9/h1-5H,(H,17,18).
What are the key properties of 2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid?
2-(2,3-dichlorophenyl)-6-fluoropyridine-4-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-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 118847536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).