methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate

C10H10ClF2NO2 — CID 130098456

IUPACmethyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(CCl)ncc1C(F)F
InChIInChI=1S/C10H10ClF2NO2/c1-16-9(15)3-6-2-7(4-11)14-5-8(6)10(12)13/h2,5,10H,3-4H2,1H3
InChIKeyCJXNUNMRNSABML-UHFFFAOYSA-N
MW249.64 g/mol
LogP2.47
Rot. Bonds4

About methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate

methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate (PubChem CID 130098456) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
PubChem CID130098456
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Namemethyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(CCl)ncc1C(F)F
InChIInChI=1S/C10H10ClF2NO2/c1-16-9(15)3-6-2-7(4-11)14-5-8(6)10(12)13/h2,5,10H,3-4H2,1H3
InChIKeyCJXNUNMRNSABML-UHFFFAOYSA-N
XLogP2.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133088360
methyl 2-[6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088361
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 133103785
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 133099823
methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
CID 171029463
methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133100336
methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133097673
methyl 2-[5-(difluoromethyl)-4-nitro-2-pyridinyl]acetate
CID 134673326
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101974
2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine
CID 130097596
methyl 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 133088543
methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104098

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate (CID 130098456) is methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate is COC(=O)Cc1cc(CCl)ncc1C(F)F.
What is the InChIKey of methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate?
The InChIKey is CJXNUNMRNSABML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-16-9(15)3-6-2-7(4-11)14-5-8(6)10(12)13/h2,5,10H,3-4H2,1H3.
What are the key properties of methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate?
methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate has a molecular weight of 249.64 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate is sourced from PubChem (CID 130098456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).