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

C14H11Cl2NO2 — CID 118836144

IUPAC2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
SMILESCc1cnc(-c2cc(Cl)ccc2Cl)cc1CC(=O)O
InChIInChI=1S/C14H11Cl2NO2/c1-8-7-17-13(4-9(8)5-14(18)19)11-6-10(15)2-3-12(11)16/h2-4,6-7H,5H2,1H3,(H,18,19)
InChIKeyXTQBENVSPJJHKV-UHFFFAOYSA-N
MW296.15 g/mol
LogP3.99
Rot. Bonds3

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

2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid (PubChem CID 118836144) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
PubChem CID118836144
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
SMILESCc1cnc(-c2cc(Cl)ccc2Cl)cc1CC(=O)O
InChIInChI=1S/C14H11Cl2NO2/c1-8-7-17-13(4-9(8)5-14(18)19)11-6-10(15)2-3-12(11)16/h2-4,6-7H,5H2,1H3,(H,18,19)
InChIKeyXTQBENVSPJJHKV-UHFFFAOYSA-N
XLogP3.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]methanol
CID 118841793
2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
CID 118824898
2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088320
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637610
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094547
2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid
CID 118841905
2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 118836281
2,5-bis(2,5-dichlorophenyl)pyridin-4-amine
CID 118806618
2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
CID 118853015
5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 133088231

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid (CID 118836144) is 2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid is Cc1cnc(-c2cc(Cl)ccc2Cl)cc1CC(=O)O.
What is the InChIKey of 2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid?
The InChIKey is XTQBENVSPJJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-8-7-17-13(4-9(8)5-14(18)19)11-6-10(15)2-3-12(11)16/h2-4,6-7H,5H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid?
2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid has a molecular weight of 296.15 g/mol, XLogP of 3.99, 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)-5-methyl-4-pyridinyl]acetic acid is sourced from PubChem (CID 118836144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).