2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid

C17H17NO3 — CID 116533689

IUPAC2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid
SMILESCOc1ccc(-c2nc(C3CC3)c(C(=O)O)cc2C)cc1
InChIInChI=1S/C17H17NO3/c1-10-9-14(17(19)20)16(12-3-4-12)18-15(10)11-5-7-13(21-2)8-6-11/h5-9,12H,3-4H2,1-2H3,(H,19,20)
InChIKeyULGFPLGXYFQGSZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.64
Rot. Bonds4

About 2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid

2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid (PubChem CID 116533689) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid
PubChem CID116533689
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid
SMILESCOc1ccc(-c2nc(C3CC3)c(C(=O)O)cc2C)cc1
InChIInChI=1S/C17H17NO3/c1-10-9-14(17(19)20)16(12-3-4-12)18-15(10)11-5-7-13(21-2)8-6-11/h5-9,12H,3-4H2,1-2H3,(H,19,20)
InChIKeyULGFPLGXYFQGSZ-UHFFFAOYSA-N
XLogP3.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533249
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
CID 82121831
3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227751
6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533494
6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid
CID 112562057
(E)-3-[4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82437303
2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid
CID 84636491
3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 42281960
6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid
CID 94285501
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid
CID 116533648

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid (CID 116533689) is 2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid is COc1ccc(-c2nc(C3CC3)c(C(=O)O)cc2C)cc1.
What is the InChIKey of 2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid?
The InChIKey is ULGFPLGXYFQGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-10-9-14(17(19)20)16(12-3-4-12)18-15(10)11-5-7-13(21-2)8-6-11/h5-9,12H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid?
2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 116533689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).