ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate

C9H10ClNO3 — CID 133060978

IUPACethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncc(O)cc1Cl
InChIInChI=1S/C9H10ClNO3/c1-2-14-9(13)4-8-7(10)3-6(12)5-11-8/h3,5,12H,2,4H2,1H3
InChIKeyLGKVIRRJKWBSDC-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.55
Rot. Bonds3

About ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate

ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate (PubChem CID 133060978) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate
PubChem CID133060978
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Nameethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncc(O)cc1Cl
InChIInChI=1S/C9H10ClNO3/c1-2-14-9(13)4-8-7(10)3-6(12)5-11-8/h3,5,12H,2,4H2,1H3
InChIKeyLGKVIRRJKWBSDC-UHFFFAOYSA-N
XLogP1.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
CID 133088380
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate
CID 133096784
ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134677641
ethyl 2-[3-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 171029636
ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134667668
ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate
CID 133098224
ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 118168634
ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate
CID 134653188
ethyl 2-[3-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetate
CID 133101946
ethyl 2-(3-cyano-5-fluoro-2-pyridinyl)acetate
CID 133097544
ethyl 2-[4,5-dichloro-2-(chloromethyl)phenyl]acetate
CID 171005942

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate (CID 133060978) is ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate is CCOC(=O)Cc1ncc(O)cc1Cl.
What is the InChIKey of ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate?
The InChIKey is LGKVIRRJKWBSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-2-14-9(13)4-8-7(10)3-6(12)5-11-8/h3,5,12H,2,4H2,1H3.
What are the key properties of ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate?
ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate has a molecular weight of 215.64 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate is sourced from PubChem (CID 133060978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).