2-(2-cyano-4-pyridinyl)propanoic acid

C9H8N2O2 — CID 22939335

IUPAC2-(2-cyano-4-pyridinyl)propanoic acid
SMILESCC(C(=O)O)c1ccnc(C#N)c1
InChIInChI=1S/C9H8N2O2/c1-6(9(12)13)7-2-3-11-8(4-7)5-10/h2-4,6H,1H3,(H,12,13)
InChIKeyIDMUQSKKFNTAEO-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.14
Rot. Bonds2

About 2-(2-cyano-4-pyridinyl)propanoic acid

2-(2-cyano-4-pyridinyl)propanoic acid (PubChem CID 22939335) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(2-cyano-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(2-cyano-4-pyridinyl)propanoic acid
PubChem CID22939335
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-(2-cyano-4-pyridinyl)propanoic acid
SMILESCC(C(=O)O)c1ccnc(C#N)c1
InChIInChI=1S/C9H8N2O2/c1-6(9(12)13)7-2-3-11-8(4-7)5-10/h2-4,6H,1H3,(H,12,13)
InChIKeyIDMUQSKKFNTAEO-UHFFFAOYSA-N
XLogP1.14
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-4-pyridinyl)propanamide
CID 166846712
4-(1-hydroxypropyl)pyridine-2-carbonitrile
CID 170592928
(2S)-2-(4-cyanophenyl)propanoic acid
CID 70308713
2-(2-propan-2-yloxy-4-pyridinyl)propanoic acid
CID 83884295
3-[(2-cyano-4-pyridinyl)amino]butanoic acid
CID 62926548
2-[(2-cyano-4-pyridinyl)methyl-methylamino]propanoic acid
CID 63883137
2-[(2-cyano-4-pyridinyl)amino]propanamide
CID 62926737
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-(3-cyano-4-methylphenyl)propanoic acid
CID 130536559
2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid
CID 12945002
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
2-phenylpropanoic acid;hydrate
CID 139796091

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4-pyridinyl)propanoic acid?
The IUPAC name of 2-(2-cyano-4-pyridinyl)propanoic acid (CID 22939335) is 2-(2-cyano-4-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(2-cyano-4-pyridinyl)propanoic acid?
The canonical SMILES for 2-(2-cyano-4-pyridinyl)propanoic acid is CC(C(=O)O)c1ccnc(C#N)c1.
What is the InChIKey of 2-(2-cyano-4-pyridinyl)propanoic acid?
The InChIKey is IDMUQSKKFNTAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6(9(12)13)7-2-3-11-8(4-7)5-10/h2-4,6H,1H3,(H,12,13).
What are the key properties of 2-(2-cyano-4-pyridinyl)propanoic acid?
2-(2-cyano-4-pyridinyl)propanoic acid has a molecular weight of 176.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4-pyridinyl)propanoic acid is sourced from PubChem (CID 22939335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).