methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate

C10H10ClF2NO3 — CID 134663534

IUPACmethyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cnc(Cl)c1OC
InChIInChI=1S/C10H10ClF2NO3/c1-16-7(15)3-5-6(10(12)13)4-14-9(11)8(5)17-2/h4,10H,3H2,1-2H3
InChIKeyCXXYLARLKOSILI-UHFFFAOYSA-N
MW265.64 g/mol
LogP2.40
Rot. Bonds4

About methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate

methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate (PubChem CID 134663534) has the molecular formula C10H10ClF2NO3 and a molecular weight of 265.64 g/mol. Its IUPAC name is methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
PubChem CID134663534
Molecular FormulaC10H10ClF2NO3
Molecular Weight265.64 g/mol
Exact Mass265.03
IUPAC Namemethyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cnc(Cl)c1OC
InChIInChI=1S/C10H10ClF2NO3/c1-16-7(15)3-5-6(10(12)13)4-14-9(11)8(5)17-2/h4,10H,3H2,1-2H3
InChIKeyCXXYLARLKOSILI-UHFFFAOYSA-N
XLogP2.40
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.64
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-chloro-5-(difluoromethyl)-3-iodo-4-pyridinyl]acetate
CID 134685488
methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134683940
methyl 2-[5-bromo-2-chloro-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134684094
methyl 2-[2-(aminomethyl)-3-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134663917
methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134674118
methyl 2-[5-(difluoromethyl)-2,3-diiodo-4-pyridinyl]acetate
CID 134668582
methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 133093227
methyl 2-[3-bromo-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 134674264
methyl 2-[5-(difluoromethyl)-3-fluoro-4-methoxy-2-pyridinyl]acetate
CID 133105735
ethyl 2-[5-(difluoromethyl)-2-fluoro-3-methoxy-4-pyridinyl]acetate
CID 133105547
methyl 2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134684285
methyl 2-[3-(bromomethyl)-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 133103983

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate (CID 134663534) is methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate is COC(=O)Cc1c(C(F)F)cnc(Cl)c1OC.
What is the InChIKey of methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate?
The InChIKey is CXXYLARLKOSILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3/c1-16-7(15)3-5-6(10(12)13)4-14-9(11)8(5)17-2/h4,10H,3H2,1-2H3.
What are the key properties of methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate?
methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate has a molecular weight of 265.64 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate is sourced from PubChem (CID 134663534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).