3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid

C18H21NO2 — CID 66474068

IUPAC3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid
SMILESCC(C)c1ccc(-c2cnccc2C(=O)O)c(C(C)C)c1
InChIInChI=1S/C18H21NO2/c1-11(2)13-5-6-14(16(9-13)12(3)4)17-10-19-8-7-15(17)18(20)21/h5-12H,1-4H3,(H,20,21)
InChIKeyWRDFPUMYWDVWPJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.69
Rot. Bonds4

About 3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid

3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid (PubChem CID 66474068) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid
PubChem CID66474068
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid
SMILESCC(C)c1ccc(-c2cnccc2C(=O)O)c(C(C)C)c1
InChIInChI=1S/C18H21NO2/c1-11(2)13-5-6-14(16(9-13)12(3)4)17-10-19-8-7-15(17)18(20)21/h5-12H,1-4H3,(H,20,21)
InChIKeyWRDFPUMYWDVWPJ-UHFFFAOYSA-N
XLogP4.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
4-[2,4-di(propan-2-yl)phenyl]pyridin-3-amine
CID 83166590
3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53223423
3-(2,4,5-trifluorophenyl)pyridine-4-carboxylic acid
CID 115503075
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270695
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 53224000
3-pyrimidin-5-ylpyridine-4-carboxylic acid
CID 66475076
3-[3-(2-methylpropyl)phenyl]pyridine-4-carboxylic acid
CID 116545176
3-(5-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 114731678
3-(1-sulfanylpropan-2-yl)pyridine-4-carboxylic acid
CID 135296132
3-(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313119

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid (CID 66474068) is 3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid is CC(C)c1ccc(-c2cnccc2C(=O)O)c(C(C)C)c1.
What is the InChIKey of 3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid?
The InChIKey is WRDFPUMYWDVWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11(2)13-5-6-14(16(9-13)12(3)4)17-10-19-8-7-15(17)18(20)21/h5-12H,1-4H3,(H,20,21).
What are the key properties of 3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid?
3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-di(propan-2-yl)phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 66474068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).