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

C13H8Cl2FNO2 — CID 133090909

IUPAC2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(F)nc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl2FNO2/c14-8-2-3-10(15)9(6-8)13-7(5-12(18)19)1-4-11(16)17-13/h1-4,6H,5H2,(H,18,19)
InChIKeyZSPWTSVWEVSFIT-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.82
Rot. Bonds3

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

2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid (PubChem CID 133090909) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid
PubChem CID133090909
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Name2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(F)nc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl2FNO2/c14-8-2-3-10(15)9(6-8)13-7(5-12(18)19)1-4-11(16)17-13/h1-4,6H,5H2,(H,18,19)
InChIKeyZSPWTSVWEVSFIT-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-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637599
2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
CID 118813640
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 133090645
2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088320
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
CID 133091115
2-(2,6-difluoro-3-pyridinyl)acetic acid
CID 118998440
4-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211133
2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid
CID 133090701
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid (CID 133090909) is 2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid is O=C(O)Cc1ccc(F)nc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid?
The InChIKey is ZSPWTSVWEVSFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c14-8-2-3-10(15)9(6-8)13-7(5-12(18)19)1-4-11(16)17-13/h1-4,6H,5H2,(H,18,19).
What are the key properties of 2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid?
2-[2-(2,5-dichlorophenyl)-6-fluoro-3-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-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid is sourced from PubChem (CID 133090909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).