ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate

C10H12ClNO2 — CID 124564561

IUPACethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
SMILESCCOC(=O)[C@H](C)c1ccc(Cl)nc1
InChIInChI=1S/C10H12ClNO2/c1-3-14-10(13)7(2)8-4-5-9(11)12-6-8/h4-7H,3H2,1-2H3/t7-/m1/s1
InChIKeySIXCRQRCXMLIFG-SSDOTTSWSA-N
MW213.66 g/mol
LogP2.40
Rot. Bonds3

About ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate

ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate (PubChem CID 124564561) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
PubChem CID124564561
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Nameethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
SMILESCCOC(=O)[C@H](C)c1ccc(Cl)nc1
InChIInChI=1S/C10H12ClNO2/c1-3-14-10(13)7(2)8-4-5-9(11)12-6-8/h4-7H,3H2,1-2H3/t7-/m1/s1
InChIKeySIXCRQRCXMLIFG-SSDOTTSWSA-N
XLogP2.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl (3S)-3-amino-3-(6-chloro-3-pyridinyl)propanoate
CID 171218331
3-(6-chloro-3-pyridinyl)butan-2-one
CID 59396961
diethyl 2-(6-chloropyridine-3-carbonyl)propanedioate
CID 165343935
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
ethyl (2R)-2-(4-iodophenyl)propanoate
CID 129387500
ethyl 2-(4-bromo-3-chlorophenyl)propanoate
CID 105426704
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-(3,4-dihydroxyphenyl)propanoate
CID 66702388
2-chloro-5-pentan-3-ylpyridine
CID 134459618
ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067849
2,2,2-trichloroethyl (2S,3R)-2-(6-chloro-3-pyridinyl)-3-methylhexanoate
CID 134959385

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate?
The IUPAC name of ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate (CID 124564561) is ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate?
The canonical SMILES for ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate is CCOC(=O)[C@H](C)c1ccc(Cl)nc1.
What is the InChIKey of ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate?
The InChIKey is SIXCRQRCXMLIFG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-3-14-10(13)7(2)8-4-5-9(11)12-6-8/h4-7H,3H2,1-2H3/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate?
ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate has a molecular weight of 213.66 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate is sourced from PubChem (CID 124564561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).