2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid

C16H14N2O2 — CID 117048315

IUPAC2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
SMILESCC(Cc1cccnc1)(C(=O)O)c1ccc(C#N)cc1
InChIInChI=1S/C16H14N2O2/c1-16(15(19)20,9-13-3-2-8-18-11-13)14-6-4-12(10-17)5-7-14/h2-8,11H,9H2,1H3,(H,19,20)
InChIKeyUPCXMVVAMRIYCI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.54
Rot. Bonds4

About 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid

2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid (PubChem CID 117048315) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
PubChem CID117048315
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
SMILESCC(Cc1cccnc1)(C(=O)O)c1ccc(C#N)cc1
InChIInChI=1S/C16H14N2O2/c1-16(15(19)20,9-13-3-2-8-18-11-13)14-6-4-12(10-17)5-7-14/h2-8,11H,9H2,1H3,(H,19,20)
InChIKeyUPCXMVVAMRIYCI-UHFFFAOYSA-N
XLogP2.54
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoate
CID 117048352
2-(4-cyanophenyl)-2-methyl-3-phenylpropanoic acid
CID 117048107
2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid
CID 117048330
2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048309
4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile
CID 117048448
2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048325
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048319
2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048305
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
2-(4-cyanophenyl)-2-hydroxypropanoic acid
CID 11513906

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid (CID 117048315) is 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid is CC(Cc1cccnc1)(C(=O)O)c1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
The InChIKey is UPCXMVVAMRIYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-16(15(19)20,9-13-3-2-8-18-11-13)14-6-4-12(10-17)5-7-14/h2-8,11H,9H2,1H3,(H,19,20).
What are the key properties of 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid has a molecular weight of 266.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 117048315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).