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

C9H8ClF2NO2 — CID 171029438

IUPACmethyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)ccc1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-15-8(14)4-7-5(10)2-3-6(13-7)9(11)12/h2-3,9H,4H2,1H3
InChIKeyCCDMAIBWQQMMNS-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.39
Rot. Bonds3

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

methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 171029438) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID171029438
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Namemethyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)ccc1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-15-8(14)4-7-5(10)2-3-6(13-7)9(11)12/h2-3,9H,4H2,1H3
InChIKeyCCDMAIBWQQMMNS-UHFFFAOYSA-N
XLogP2.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-chloro-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134673837
methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134661772
methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate
CID 134683087
methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate
CID 134684404
methyl 2-[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134670856
methyl 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 133088543
methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134660886
ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134673525
methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
CID 133102109
methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134683841
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 133104847
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 133084326

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate (CID 171029438) is methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(C(F)F)ccc1Cl.
What is the InChIKey of methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is CCDMAIBWQQMMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-15-8(14)4-7-5(10)2-3-6(13-7)9(11)12/h2-3,9H,4H2,1H3.
What are the key properties of methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 235.62 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 171029438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).