ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate

C10H12ClNO2 — CID 142676522

IUPACethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate
SMILESCCOC(=O)C(Cl)c1cccnc1C
InChIInChI=1S/C10H12ClNO2/c1-3-14-10(13)9(11)8-5-4-6-12-7(8)2/h4-6,9H,3H2,1-2H3
InChIKeyCKYNIAHMUVWQHR-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.23
Rot. Bonds3

About ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate

ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate (PubChem CID 142676522) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate
PubChem CID142676522
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Nameethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate
SMILESCCOC(=O)C(Cl)c1cccnc1C
InChIInChI=1S/C10H12ClNO2/c1-3-14-10(13)9(11)8-5-4-6-12-7(8)2/h4-6,9H,3H2,1-2H3
InChIKeyCKYNIAHMUVWQHR-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate
CID 125458214
diethyl 2-(2-chloro-3-pyridinyl)propanedioate
CID 141446952
ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate
CID 59570462
ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate
CID 124634186
methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
CID 57017613
ethyl 2-chloro-2-(2-nitrophenyl)acetate
CID 104574680
ethyl (3S)-3-amino-3-(2-chloro-3-pyridinyl)propanoate
CID 171218538
(1R)-2-amino-1-(2-methyl-3-pyridinyl)ethanol
CID 96635768
(2S)-2-amino-2-(2-methyl-3-pyridinyl)ethanol
CID 55263472
ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 144739559
ethane;3-heptan-4-yl-2-methylpyridine
CID 143825065
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate (CID 142676522) is ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate is CCOC(=O)C(Cl)c1cccnc1C.
What is the InChIKey of ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate?
The InChIKey is CKYNIAHMUVWQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-3-14-10(13)9(11)8-5-4-6-12-7(8)2/h4-6,9H,3H2,1-2H3.
What are the key properties of ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate?
ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate has a molecular weight of 213.66 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 142676522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).