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

C8H8ClNO2 — CID 19771888

IUPACmethyl 2-(2-chloro-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cccnc1Cl
InChIInChI=1S/C8H8ClNO2/c1-12-7(11)5-6-3-2-4-10-8(6)9/h2-4H,5H2,1H3
InChIKeyHGRQGJYEMNWDFM-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.45
Rot. Bonds2

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

methyl 2-(2-chloro-3-pyridinyl)acetate (PubChem CID 19771888) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is methyl 2-(2-chloro-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-3-pyridinyl)acetate
PubChem CID19771888
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Namemethyl 2-(2-chloro-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cccnc1Cl
InChIInChI=1S/C8H8ClNO2/c1-12-7(11)5-6-3-2-4-10-8(6)9/h2-4H,5H2,1H3
InChIKeyHGRQGJYEMNWDFM-UHFFFAOYSA-N
XLogP1.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.45
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

3-Pyridineacetic acid
CID 108
3-(Pyridin-4-yl)propanoic acid
CID 233243
Ethyl 3-pyridylacetate
CID 96490
Ethyl pyridine-4-acetate
CID 736321
Methyl pyridine-3-acetate
CID 96475
2-(6-Chloropyridin-3-yl)acetic acid
CID 14071571
Methyl 4-pyridylacetate
CID 122482
Ethyl 1-[(6-chloro-3-pyridinyl)methyl]-4-piperidinecarboxylate
CID 1473526
methyl (E)-7-phenyl-7-(3-pyridyl)-6-heptenoate
CID 13417302
Ethyl 2-chloroisonicotinate
CID 2762942
Methyl 2-chloropyridine-4-carboxylate
CID 2736842
3-Pyridineacetic acid, hydrochloride (1:1)
CID 2723724

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(2-chloro-3-pyridinyl)acetate (CID 19771888) is methyl 2-(2-chloro-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(2-chloro-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(2-chloro-3-pyridinyl)acetate is COC(=O)Cc1cccnc1Cl.
What is the InChIKey of methyl 2-(2-chloro-3-pyridinyl)acetate?
The InChIKey is HGRQGJYEMNWDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-12-7(11)5-6-3-2-4-10-8(6)9/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(2-chloro-3-pyridinyl)acetate?
methyl 2-(2-chloro-3-pyridinyl)acetate has a molecular weight of 185.61 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-3-pyridinyl)acetate is sourced from PubChem (CID 19771888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).