3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid

C15H13Cl2NO2 — CID 82452786

IUPAC3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid
SMILESCc1nc(-c2ccc(Cl)cc2Cl)ccc1CCC(=O)O
InChIInChI=1S/C15H13Cl2NO2/c1-9-10(3-7-15(19)20)2-6-14(18-9)12-5-4-11(16)8-13(12)17/h2,4-6,8H,3,7H2,1H3,(H,19,20)
InChIKeyRYIJAXDZXIDLCV-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.38
Rot. Bonds4

About 3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid

3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid (PubChem CID 82452786) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid
PubChem CID82452786
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid
SMILESCc1nc(-c2ccc(Cl)cc2Cl)ccc1CCC(=O)O
InChIInChI=1S/C15H13Cl2NO2/c1-9-10(3-7-15(19)20)2-6-14(18-9)12-5-4-11(16)8-13(12)17/h2,4-6,8H,3,7H2,1H3,(H,19,20)
InChIKeyRYIJAXDZXIDLCV-UHFFFAOYSA-N
XLogP4.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350
3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid
CID 82452448
3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82453435
[6-(2,5-dichlorophenyl)-2-methyl-3-pyridinyl]methanol
CID 82452812
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
3-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenyl]propanoic acid
CID 11530868
3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid
CID 59946858
2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088320
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-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
CID 118853015
3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid
CID 82453060

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid?
The IUPAC name of 3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid (CID 82452786) is 3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid?
The canonical SMILES for 3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid is Cc1nc(-c2ccc(Cl)cc2Cl)ccc1CCC(=O)O.
What is the InChIKey of 3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid?
The InChIKey is RYIJAXDZXIDLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9-10(3-7-15(19)20)2-6-14(18-9)12-5-4-11(16)8-13(12)17/h2,4-6,8H,3,7H2,1H3,(H,19,20).
What are the key properties of 3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid?
3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid has a molecular weight of 310.18 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid is sourced from PubChem (CID 82452786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).