methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate

C9H10ClNO2 — CID 129318972

IUPACmethyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate
SMILESCOC(=O)Cc1c(C)ccnc1Cl
InChIInChI=1S/C9H10ClNO2/c1-6-3-4-11-9(10)7(6)5-8(12)13-2/h3-4H,5H2,1-2H3
InChIKeyPUXVPVDNERWBJD-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.76
Rot. Bonds2

About methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate

methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate (PubChem CID 129318972) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate
PubChem CID129318972
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Namemethyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate
SMILESCOC(=O)Cc1c(C)ccnc1Cl
InChIInChI=1S/C9H10ClNO2/c1-6-3-4-11-9(10)7(6)5-8(12)13-2/h3-4H,5H2,1-2H3
InChIKeyPUXVPVDNERWBJD-UHFFFAOYSA-N
XLogP1.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.76
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

methyl 2-(3-bromo-2-chloro-4-pyridinyl)acetate
CID 130923502
2-chloro-3-ethyl-4-methylpyridine
CID 89372274
methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate
CID 171011025
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
CID 130870256
methyl 2-(6-chloro-2-formyl-3-methylphenyl)acetate
CID 171022124
ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088379
(2-chloro-4-methyl-3-pyridinyl)methyl methanesulfonate
CID 130153565
methyl 2-(3-bromo-2,6-dimethylphenyl)acetate
CID 67498507
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate
CID 82552401
methyl 2-[2-(chloromethyl)-6-methoxy-3-methylphenyl]acetate
CID 171023020
methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate
CID 82575093

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate (CID 129318972) is methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate is COC(=O)Cc1c(C)ccnc1Cl.
What is the InChIKey of methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate?
The InChIKey is PUXVPVDNERWBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6-3-4-11-9(10)7(6)5-8(12)13-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate?
methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate has a molecular weight of 199.64 g/mol, XLogP of 1.76, 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-4-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 129318972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).