methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate

C14H10ClF2NO3 — CID 172564337

IUPACmethyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate
SMILESCOC(=O)c1cc(Cl)c(COc2ccc(F)cn2)cc1F
InChIInChI=1S/C14H10ClF2NO3/c1-20-14(19)10-5-11(15)8(4-12(10)17)7-21-13-3-2-9(16)6-18-13/h2-6H,7H2,1H3
InChIKeyHSUNFFADBKWIMZ-UHFFFAOYSA-N
MW313.69 g/mol
LogP3.38
Rot. Bonds4

About methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate

methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate (PubChem CID 172564337) has the molecular formula C14H10ClF2NO3 and a molecular weight of 313.69 g/mol. Its IUPAC name is methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate
PubChem CID172564337
Molecular FormulaC14H10ClF2NO3
Molecular Weight313.69 g/mol
Exact Mass313.03
IUPAC Namemethyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate
SMILESCOC(=O)c1cc(Cl)c(COc2ccc(F)cn2)cc1F
InChIInChI=1S/C14H10ClF2NO3/c1-20-14(19)10-5-11(15)8(4-12(10)17)7-21-13-3-2-9(16)6-18-13/h2-6H,7H2,1H3
InChIKeyHSUNFFADBKWIMZ-UHFFFAOYSA-N
XLogP3.38
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.69
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid
CID 172564528
2-[(2-chloro-5-fluoro-4-isocyanatophenyl)methoxy]-5-fluoropyridine
CID 172564263
2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide
CID 167200495
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
methyl 2-ethoxy-5-fluoropyridine-4-carboxylate
CID 118989859
methyl 2-chloro-5-(5-fluoropyrimidin-2-yl)benzoate
CID 167496125
5-chloro-4-[(3-chloro-4-methylphenoxy)methyl]-2-fluorobenzoic acid
CID 118501542
2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid
CID 86703767
methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
CID 133090729
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133090466
methyl 3-chloro-5-fluoropyridine-2-carboxylate
CID 46311235

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate?
The IUPAC name of methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate (CID 172564337) is methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate.
What is the SMILES notation for methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate?
The canonical SMILES for methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate is COC(=O)c1cc(Cl)c(COc2ccc(F)cn2)cc1F.
What is the InChIKey of methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate?
The InChIKey is HSUNFFADBKWIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO3/c1-20-14(19)10-5-11(15)8(4-12(10)17)7-21-13-3-2-9(16)6-18-13/h2-6H,7H2,1H3.
What are the key properties of methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate?
methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate has a molecular weight of 313.69 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate is sourced from PubChem (CID 172564337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).