(2R)-2-pyridin-2-ylpropanoate

C8H8NO2- — CID 86306983

IUPAC(2R)-2-pyridin-2-ylpropanoate
SMILESC[C@@H](C(=O)[O-])c1ccccn1
InChIInChI=1S/C8H9NO2/c1-6(8(10)11)7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)/p-1/t6-/m1/s1
InChIKeyFAHOLXKLEQTYTL-ZCFIWIBFSA-M
MW150.16 g/mol
LogP-0.06
Rot. Bonds2

About (2R)-2-pyridin-2-ylpropanoate

(2R)-2-pyridin-2-ylpropanoate (PubChem CID 86306983) has the molecular formula C8H8NO2- and a molecular weight of 150.16 g/mol. Its IUPAC name is (2R)-2-pyridin-2-ylpropanoate.

Molecular Properties

Compound Name(2R)-2-pyridin-2-ylpropanoate
PubChem CID86306983
Molecular FormulaC8H8NO2-
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name(2R)-2-pyridin-2-ylpropanoate
SMILESC[C@@H](C(=O)[O-])c1ccccn1
InChIInChI=1S/C8H9NO2/c1-6(8(10)11)7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)/p-1/t6-/m1/s1
InChIKeyFAHOLXKLEQTYTL-ZCFIWIBFSA-M
XLogP-0.06
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

lithium 2-pyridin-2-ylpropanoate
CID 175058549
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
4-ethyl-2-pyridin-2-ylhexan-3-one
CID 66448746
copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)
CID 134096987
5-methyl-2-pyridin-2-ylheptan-3-one
CID 114875173
4-propyl-2-pyridin-2-ylheptan-3-one
CID 82987035
2-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82280795
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one
CID 66447774
1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448942
2-pyridin-2-yldodecan-3-one
CID 66446795

Frequently Asked Questions

What is the IUPAC name of (2R)-2-pyridin-2-ylpropanoate?
The IUPAC name of (2R)-2-pyridin-2-ylpropanoate (CID 86306983) is (2R)-2-pyridin-2-ylpropanoate.
What is the SMILES notation for (2R)-2-pyridin-2-ylpropanoate?
The canonical SMILES for (2R)-2-pyridin-2-ylpropanoate is C[C@@H](C(=O)[O-])c1ccccn1.
What is the InChIKey of (2R)-2-pyridin-2-ylpropanoate?
The InChIKey is FAHOLXKLEQTYTL-ZCFIWIBFSA-M. The full InChI is InChI=1S/C8H9NO2/c1-6(8(10)11)7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)/p-1/t6-/m1/s1.
What are the key properties of (2R)-2-pyridin-2-ylpropanoate?
(2R)-2-pyridin-2-ylpropanoate has a molecular weight of 150.16 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pyridin-2-ylpropanoate is sourced from PubChem (CID 86306983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).