6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid

C16H16ClNO2 — CID 116533201

IUPAC6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2cccc(Cl)c2)c(C)cc1C(=O)O
InChIInChI=1S/C16H16ClNO2/c1-3-5-14-13(16(19)20)8-10(2)15(18-14)11-6-4-7-12(17)9-11/h4,6-9H,3,5H2,1-2H3,(H,19,20)
InChIKeyIQWBOKMATAZTSM-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.36
Rot. Bonds4

About 6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid

6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid (PubChem CID 116533201) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
PubChem CID116533201
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2cccc(Cl)c2)c(C)cc1C(=O)O
InChIInChI=1S/C16H16ClNO2/c1-3-5-14-13(16(19)20)8-10(2)15(18-14)11-6-4-7-12(17)9-11/h4,6-9H,3,5H2,1-2H3,(H,19,20)
InChIKeyIQWBOKMATAZTSM-UHFFFAOYSA-N
XLogP4.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 114872887
6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533249
ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate
CID 116532839
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid
CID 107918025
6-phenyl-2-propylpyridine-3-carboxylic acid
CID 112693851
4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105499670
2-chloro-5-(3-chlorophenyl)pyridine-4-carboxylic acid
CID 53223009
3-(3-chlorophenyl)-1,5-dimethylpyrazole-4-carboxylic acid
CID 122619967
2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
CID 82121831
5-(4-fluorophenyl)-6-methyl-2-propylpyridine-3-carboxylic acid
CID 114834320
2-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 82092406

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid?
The IUPAC name of 6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid (CID 116533201) is 6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid is CCCc1nc(-c2cccc(Cl)c2)c(C)cc1C(=O)O.
What is the InChIKey of 6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid?
The InChIKey is IQWBOKMATAZTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-3-5-14-13(16(19)20)8-10(2)15(18-14)11-6-4-7-12(17)9-11/h4,6-9H,3,5H2,1-2H3,(H,19,20).
What are the key properties of 6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid?
6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid has a molecular weight of 289.76 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 116533201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).