methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate

C9H7ClF3NO2 — CID 134676745

IUPACmethyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(Cl)c(C(F)F)cc1F
InChIInChI=1S/C9H7ClF3NO2/c1-16-7(15)3-6-5(11)2-4(9(12)13)8(10)14-6/h2,9H,3H2,1H3
InChIKeyQGXWQWCGZLBMPT-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.53
Rot. Bonds3

About methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate

methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate (PubChem CID 134676745) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
PubChem CID134676745
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Namemethyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(Cl)c(C(F)F)cc1F
InChIInChI=1S/C9H7ClF3NO2/c1-16-7(15)3-6-5(11)2-4(9(12)13)8(10)14-6/h2,9H,3H2,1H3
InChIKeyQGXWQWCGZLBMPT-UHFFFAOYSA-N
XLogP2.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.53
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-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685443
methyl 2-[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134677861
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 133103785
methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134661772
methyl 2-[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134663513
methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674202
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104357
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
methyl 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134662547
methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134686341
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 133102439
methyl 2-[4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029773

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate (CID 134676745) is methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate is COC(=O)Cc1nc(Cl)c(C(F)F)cc1F.
What is the InChIKey of methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate?
The InChIKey is QGXWQWCGZLBMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c1-16-7(15)3-6-5(11)2-4(9(12)13)8(10)14-6/h2,9H,3H2,1H3.
What are the key properties of methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate?
methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate has a molecular weight of 253.61 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate is sourced from PubChem (CID 134676745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).