methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate

C11H12ClF2NO3 — CID 133099114

IUPACmethyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(CCl)c(C(F)F)nc1OC
InChIInChI=1S/C11H12ClF2NO3/c1-17-8(16)4-6-3-7(5-12)9(10(13)14)15-11(6)18-2/h3,10H,4-5H2,1-2H3
InChIKeyNVHQSQMBDRZZKO-UHFFFAOYSA-N
MW279.67 g/mol
LogP2.48
Rot. Bonds5

About methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate

methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate (PubChem CID 133099114) has the molecular formula C11H12ClF2NO3 and a molecular weight of 279.67 g/mol. Its IUPAC name is methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
PubChem CID133099114
Molecular FormulaC11H12ClF2NO3
Molecular Weight279.67 g/mol
Exact Mass279.05
IUPAC Namemethyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(CCl)c(C(F)F)nc1OC
InChIInChI=1S/C11H12ClF2NO3/c1-17-8(16)4-6-3-7(5-12)9(10(13)14)15-11(6)18-2/h3,10H,4-5H2,1-2H3
InChIKeyNVHQSQMBDRZZKO-UHFFFAOYSA-N
XLogP2.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate
CID 133100382
methyl 2-[6-chloro-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134672190
methyl 2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681738
methyl 5-(chloromethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663471
methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681746
methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134684791
methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134666504
methyl 2-[5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671507
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 133099823
methyl 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134674550
methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate
CID 133100381
ethyl 2-[2-chloro-5-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674403

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate (CID 133099114) is methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate is COC(=O)Cc1cc(CCl)c(C(F)F)nc1OC.
What is the InChIKey of methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate?
The InChIKey is NVHQSQMBDRZZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO3/c1-17-8(16)4-6-3-7(5-12)9(10(13)14)15-11(6)18-2/h3,10H,4-5H2,1-2H3.
What are the key properties of methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate?
methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate has a molecular weight of 279.67 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate is sourced from PubChem (CID 133099114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).