6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid

C18H21NO2 — CID 116533425

IUPAC6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(C(C)C)nc1-c1ccccc1
InChIInChI=1S/C18H21NO2/c1-11(2)14-10-15(18(20)21)16(12(3)4)19-17(14)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,20,21)
InChIKeyYDFCSHOBBGDGDF-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.69
Rot. Bonds4

About 6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid

6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid (PubChem CID 116533425) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid
PubChem CID116533425
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(C(C)C)nc1-c1ccccc1
InChIInChI=1S/C18H21NO2/c1-11(2)14-10-15(18(20)21)16(12(3)4)19-17(14)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,20,21)
InChIKeyYDFCSHOBBGDGDF-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

5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533443
ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
CID 116533372
4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid
CID 150553095
6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533402
1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 20521545
1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 158713023
2-phenyl-3,4-di(propan-2-yl)benzoic acid
CID 70035645
6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 84722044
naphthalene;phthalic acid
CID 158069637
3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid
CID 174865670
6-(2-nitrophenyl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533517
1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid
CID 43324436

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid (CID 116533425) is 6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid is CC(C)c1cc(C(=O)O)c(C(C)C)nc1-c1ccccc1.
What is the InChIKey of 6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid?
The InChIKey is YDFCSHOBBGDGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11(2)14-10-15(18(20)21)16(12(3)4)19-17(14)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,20,21).
What are the key properties of 6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid?
6-phenyl-2,5-di(propan-2-yl)pyridine-3-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 6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 116533425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).