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

C13H8Cl2FNO2 — CID 118830681

IUPAC2-[6-(2,6-dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(F)c(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H8Cl2FNO2/c14-8-2-1-3-9(15)12(8)13-10(16)5-4-7(17-13)6-11(18)19/h1-5H,6H2,(H,18,19)
InChIKeyKMYJUDBITSREOF-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.82
Rot. Bonds3

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

2-[6-(2,6-dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid (PubChem CID 118830681) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 2-[6-(2,6-dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(2,6-dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid
PubChem CID118830681
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Name2-[6-(2,6-dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(F)c(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H8Cl2FNO2/c14-8-2-1-3-9(15)12(8)13-10(16)5-4-7(17-13)6-11(18)19/h1-5H,6H2,(H,18,19)
InChIKeyKMYJUDBITSREOF-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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Related Compounds

Zatolmilast
CID 90111638
2-(6-Chloropyridin-2-yl)acetic acid
CID 17750072
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CID 71758252
1-(6-Chloropyridin-2-yl)cyclopropane-1-carboxylic acid
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2-[2-Chloro-6-(2-methylpropyl)-3-pyridinyl]propanoic acid
CID 12508540
Sodium 1-(6-chloropyridin-2-yl)cyclobutane-1-carboxylate
CID 165979557
2-(2,4-Dichloro-6-methylpyridin-3-yl)acetic acid
CID 7131485
6-Chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid
CID 21939651
2-(6-Chloropyridin-2-yl)-2,2-difluoroacetic acid
CID 23467936
Ethyl 2-(3-chloro-7-fluoroisoquinolin-1-yl)acetate
CID 57481545
1-Isoquinolineacetic acid, 3-chloro-7-fluoro-, 1,1-dimethylethyl ester
CID 57481546
1-(6-Chloropyridin-2-yl)cyclobutanecarboxylic acid
CID 58246219

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(2,6-dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid (CID 118830681) is 2-[6-(2,6-dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(2,6-dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(2,6-dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(F)c(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-[6-(2,6-dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid?
The InChIKey is KMYJUDBITSREOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c14-8-2-1-3-9(15)12(8)13-10(16)5-4-7(17-13)6-11(18)19/h1-5H,6H2,(H,18,19).
What are the key properties of 2-[6-(2,6-dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid?
2-[6-(2,6-dichlorophenyl)-5-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-[6-(2,6-dichlorophenyl)-5-fluoro-2-pyridinyl]acetic acid is sourced from PubChem (CID 118830681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).