2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid

C13H7Cl2F2NO2 — CID 133091115

IUPAC2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(Cl)cc2Cl)c(F)cc1F
InChIInChI=1S/C13H7Cl2F2NO2/c14-6-1-2-7(8(15)3-6)13-10(17)4-9(16)11(18-13)5-12(19)20/h1-4H,5H2,(H,19,20)
InChIKeyRHELOPWDNBRIOI-UHFFFAOYSA-N
MW318.11 g/mol
LogP3.96
Rot. Bonds3

About 2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid

2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid (PubChem CID 133091115) has the molecular formula C13H7Cl2F2NO2 and a molecular weight of 318.11 g/mol. Its IUPAC name is 2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
PubChem CID133091115
Molecular FormulaC13H7Cl2F2NO2
Molecular Weight318.11 g/mol
Exact Mass316.98
IUPAC Name2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(Cl)cc2Cl)c(F)cc1F
InChIInChI=1S/C13H7Cl2F2NO2/c14-6-1-2-7(8(15)3-6)13-10(17)4-9(16)11(18-13)5-12(19)20/h1-4H,5H2,(H,19,20)
InChIKeyRHELOPWDNBRIOI-UHFFFAOYSA-N
XLogP3.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088248
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
CID 118853015
2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133087191
2-(2,4-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 170837737
2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 133093077
2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090419
2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 133090909
3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82452786
2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088320
2-[5-(2-chloro-4-fluorophenyl)-2-fluorophenyl]acetic acid
CID 176548281
[2-(2,4-dichlorophenyl)-3-fluoro-4-pyridinyl]methanol
CID 118813716

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid (CID 133091115) is 2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid is O=C(O)Cc1nc(-c2ccc(Cl)cc2Cl)c(F)cc1F.
What is the InChIKey of 2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid?
The InChIKey is RHELOPWDNBRIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F2NO2/c14-6-1-2-7(8(15)3-6)13-10(17)4-9(16)11(18-13)5-12(19)20/h1-4H,5H2,(H,19,20).
What are the key properties of 2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid?
2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid has a molecular weight of 318.11 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid is sourced from PubChem (CID 133091115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).