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

C12H6Cl2FNO2 — CID 133090636

IUPAC3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(F)cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H6Cl2FNO2/c13-7-1-6(2-8(14)3-7)10-4-9(15)5-16-11(10)12(17)18/h1-5H,(H,17,18)
InChIKeyYVRLNPWORBWJMP-UHFFFAOYSA-N
MW286.09 g/mol
LogP3.89
Rot. Bonds2

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

3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 133090636) has the molecular formula C12H6Cl2FNO2 and a molecular weight of 286.09 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
PubChem CID133090636
Molecular FormulaC12H6Cl2FNO2
Molecular Weight286.09 g/mol
Exact Mass284.98
IUPAC Name3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(F)cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H6Cl2FNO2/c13-7-1-6(2-8(14)3-7)10-4-9(15)5-16-11(10)12(17)18/h1-5H,(H,17,18)
InChIKeyYVRLNPWORBWJMP-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid (CID 133090636) is 3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid is O=C(O)c1ncc(F)cc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is YVRLNPWORBWJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO2/c13-7-1-6(2-8(14)3-7)10-4-9(15)5-16-11(10)12(17)18/h1-5H,(H,17,18).
What are the key properties of 3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid?
3-(3,5-dichlorophenyl)-5-fluoropyridine-2-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 3-(3,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 133090636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).