5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid

C17H19NO2 — CID 116533443

IUPAC5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(C(C)C)nc1-c1ccccc1
InChIInChI=1S/C17H19NO2/c1-4-12-10-14(17(19)20)15(11(2)3)18-16(12)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyDPZKJFRODUFSIT-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.13
Rot. Bonds4

About 5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid

5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 116533443) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid
PubChem CID116533443
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(C(C)C)nc1-c1ccccc1
InChIInChI=1S/C17H19NO2/c1-4-12-10-14(17(19)20)15(11(2)3)18-16(12)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyDPZKJFRODUFSIT-UHFFFAOYSA-N
XLogP4.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid
CID 116533425
ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
CID 116533372
2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid
CID 175195543
2-[2-oxo-2-[3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)anilino]ethyl]benzoic acid
CID 56763423
6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 84722044
ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate
CID 134999030
2-ethylbenzoic acid;tungsten
CID 23518478
2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 62716397
5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid
CID 67425132
2-ethyl-3-propan-2-ylbenzoic acid
CID 89352889
6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533402

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid (CID 116533443) is 5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(C(C)C)nc1-c1ccccc1.
What is the InChIKey of 5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is DPZKJFRODUFSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-12-10-14(17(19)20)15(11(2)3)18-16(12)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,19,20).
What are the key properties of 5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid?
5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 116533443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).