2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid

C14H11Cl2NO2 — CID 118853015

IUPAC2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
SMILESCc1ccnc(-c2ccc(Cl)cc2Cl)c1CC(=O)O
InChIInChI=1S/C14H11Cl2NO2/c1-8-4-5-17-14(11(8)7-13(18)19)10-3-2-9(15)6-12(10)16/h2-6H,7H2,1H3,(H,18,19)
InChIKeyYZUKXSURJGNUFM-UHFFFAOYSA-N
MW296.15 g/mol
LogP3.99
Rot. Bonds3

About 2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid

2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid (PubChem CID 118853015) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
PubChem CID118853015
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
SMILESCc1ccnc(-c2ccc(Cl)cc2Cl)c1CC(=O)O
InChIInChI=1S/C14H11Cl2NO2/c1-8-4-5-17-14(11(8)7-13(18)19)10-3-2-9(15)6-12(10)16/h2-6H,7H2,1H3,(H,18,19)
InChIKeyYZUKXSURJGNUFM-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-[3-chloro-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088248
2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133087191
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
CID 133091115
2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 118836281
[2-(2,4-dichlorophenyl)-3-fluoro-4-pyridinyl]methanol
CID 118813716
4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid
CID 67961064
2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 133093077
2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
CID 118836144
2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
CID 118824898
2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118802456
3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82452786

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid (CID 118853015) is 2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid is Cc1ccnc(-c2ccc(Cl)cc2Cl)c1CC(=O)O.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid?
The InChIKey is YZUKXSURJGNUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-8-4-5-17-14(11(8)7-13(18)19)10-3-2-9(15)6-12(10)16/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid?
2-[2-(2,4-dichlorophenyl)-4-methyl-3-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-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 118853015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).