2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid

C13H8Cl2FNO2 — CID 133091038

IUPAC2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C13H8Cl2FNO2/c14-9-2-1-7(3-10(9)15)8-4-11(16)12(17-6-8)5-13(18)19/h1-4,6H,5H2,(H,18,19)
InChIKeySLTDHIXQTKHVSX-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.82
Rot. Bonds3

About 2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid

2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid (PubChem CID 133091038) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid
PubChem CID133091038
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Name2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C13H8Cl2FNO2/c14-9-2-1-7(3-10(9)15)8-4-11(16)12(17-6-8)5-13(18)19/h1-4,6H,5H2,(H,18,19)
InChIKeySLTDHIXQTKHVSX-UHFFFAOYSA-N
XLogP3.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid (CID 133091038) is 2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(-c2ccc(Cl)c(Cl)c2)cc1F.
What is the InChIKey of 2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid?
The InChIKey is SLTDHIXQTKHVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c14-9-2-1-7(3-10(9)15)8-4-11(16)12(17-6-8)5-13(18)19/h1-4,6H,5H2,(H,18,19).
What are the key properties of 2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid?
2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid has a molecular weight of 300.12 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dichlorophenyl)-3-fluoro-2-pyridinyl]acetic acid is sourced from PubChem (CID 133091038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).