2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid

C13H8Cl2FNO2 — CID 133090701

IUPAC2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(F)ccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8Cl2FNO2/c14-8-3-7(4-9(15)5-8)10-1-2-12(16)17-11(10)6-13(18)19/h1-5H,6H2,(H,18,19)
InChIKeyOKRQKNAOKAVBPG-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.82
Rot. Bonds3

About 2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid

2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid (PubChem CID 133090701) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid
PubChem CID133090701
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Name2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(F)ccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8Cl2FNO2/c14-8-3-7(4-9(15)5-8)10-1-2-12(16)17-11(10)6-13(18)19/h1-5H,6H2,(H,18,19)
InChIKeyOKRQKNAOKAVBPG-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

Computed Properties (RDKit)

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

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Related Compounds

2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090419
2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133087361
2-[6-chloro-3-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869785
2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637599
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869699
2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid
CID 18739497
2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 133090909
2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
CID 133091115
2-(2,6-difluoro-3-pyridinyl)acetic acid
CID 118998440
2-[4-(3,5-dichlorophenyl)phenyl]acetic acid
CID 2758083
3-chloro-4-(3,5-dichlorophenyl)benzoic acid
CID 114879100
2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134630938

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid (CID 133090701) is 2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid is O=C(O)Cc1nc(F)ccc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid?
The InChIKey is OKRQKNAOKAVBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c14-8-3-7(4-9(15)5-8)10-1-2-12(16)17-11(10)6-13(18)19/h1-5H,6H2,(H,18,19).
What are the key properties of 2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid?
2-[3-(3,5-dichlorophenyl)-6-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-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid is sourced from PubChem (CID 133090701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).