3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid

C16H16ClNO3 — CID 82453435

IUPAC3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid
SMILESCOc1ccc(-c2ccc(CCC(=O)O)c(C)n2)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-10-11(5-8-16(19)20)3-6-14(18-10)12-4-7-15(21-2)13(17)9-12/h3-4,6-7,9H,5,8H2,1-2H3,(H,19,20)
InChIKeyGMKRLWPDQZQAME-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.74
Rot. Bonds5

About 3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid

3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid (PubChem CID 82453435) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid
PubChem CID82453435
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid
SMILESCOc1ccc(-c2ccc(CCC(=O)O)c(C)n2)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-10-11(5-8-16(19)20)3-6-14(18-10)12-4-7-15(21-2)13(17)9-12/h3-4,6-7,9H,5,8H2,1-2H3,(H,19,20)
InChIKeyGMKRLWPDQZQAME-UHFFFAOYSA-N
XLogP3.74
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid
CID 82452448
3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82452786
3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid
CID 166398717
3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid
CID 82453060
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82134188
2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482936
[6-(4-methoxy-3-methylphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82453407
6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid
CID 163905465
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057
3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
CID 117379450
3-(3-chloro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82304555
3-(7-chloro-4-methoxy-1H-indol-3-yl)propanoic acid
CID 82499552

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid?
The IUPAC name of 3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid (CID 82453435) is 3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid?
The canonical SMILES for 3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid is COc1ccc(-c2ccc(CCC(=O)O)c(C)n2)cc1Cl.
What is the InChIKey of 3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid?
The InChIKey is GMKRLWPDQZQAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-11(5-8-16(19)20)3-6-14(18-10)12-4-7-15(21-2)13(17)9-12/h3-4,6-7,9H,5,8H2,1-2H3,(H,19,20).
What are the key properties of 3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid?
3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid has a molecular weight of 305.76 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid is sourced from PubChem (CID 82453435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).