methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate

C8H7ClFNO2 — CID 131118984

IUPACmethyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(Cl)ncc1F
InChIInChI=1S/C8H7ClFNO2/c1-13-8(12)3-5-2-7(9)11-4-6(5)10/h2,4H,3H2,1H3
InChIKeyDCENXRKUJOSPNF-UHFFFAOYSA-N
MW203.60 g/mol
LogP1.59
Rot. Bonds2

About methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate

methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate (PubChem CID 131118984) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate
PubChem CID131118984
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Namemethyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(Cl)ncc1F
InChIInChI=1S/C8H7ClFNO2/c1-13-8(12)3-5-2-7(9)11-4-6(5)10/h2,4H,3H2,1H3
InChIKeyDCENXRKUJOSPNF-UHFFFAOYSA-N
XLogP1.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 51.59
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-[6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088361
methyl 2-(2-chloro-5-cyano-4-pyridinyl)acetate
CID 131074208
methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097692
methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
CID 91755192
methyl 2-[2-(chloromethyl)-4,5-difluorophenyl]acetate
CID 171019400
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518
methyl 2-[6-chloro-3-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 134663586
ethane;methyl 2-(6-chloro-3-pyridinyl)acetate
CID 142918982
methyl 2-(4,5-difluoro-3-pyridinyl)acetate
CID 130779119
methyl 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 133088543
methyl 2-(4-cyano-2,5-difluorophenyl)acetate
CID 86694454
methyl 2-(5-bromo-2-fluoro-4-pyridinyl)acetate
CID 131074156

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate?
The IUPAC name of methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate (CID 131118984) is methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate?
The canonical SMILES for methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate is COC(=O)Cc1cc(Cl)ncc1F.
What is the InChIKey of methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate?
The InChIKey is DCENXRKUJOSPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c1-13-8(12)3-5-2-7(9)11-4-6(5)10/h2,4H,3H2,1H3.
What are the key properties of methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate?
methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate has a molecular weight of 203.60 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate is sourced from PubChem (CID 131118984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).