methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate

C13H8Cl2FNO2 — CID 133090667

IUPACmethyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc(Cl)ccc2Cl)ccc1F
InChIInChI=1S/C13H8Cl2FNO2/c1-19-13(18)12-10(16)4-5-11(17-12)8-6-7(14)2-3-9(8)15/h2-6H,1H3
InChIKeyGDOQFNNOCQRORK-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.98
Rot. Bonds2

About methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate

methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate (PubChem CID 133090667) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate
PubChem CID133090667
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Namemethyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc(Cl)ccc2Cl)ccc1F
InChIInChI=1S/C13H8Cl2FNO2/c1-19-13(18)12-10(16)4-5-11(17-12)8-6-7(14)2-3-9(8)15/h2-6H,1H3
InChIKeyGDOQFNNOCQRORK-UHFFFAOYSA-N
XLogP3.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636658
methyl 6-chloro-3-(2,5-dichlorophenyl)pyridine-2-carboxylate
CID 133088306
methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574254
methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636585
methyl 4-(2,5-dichlorophenyl)-2,6-difluorobenzoate
CID 119013644
methyl 3-chloro-6-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 142574432
methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate
CID 71150711
2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088320
methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate
CID 67469548
methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
CID 133090813
methyl 3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-4-methylpyridine-2-carboxylate
CID 138549772
methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate
CID 75488397

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate (CID 133090667) is methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate is COC(=O)c1nc(-c2cc(Cl)ccc2Cl)ccc1F.
What is the InChIKey of methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate?
The InChIKey is GDOQFNNOCQRORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c1-19-13(18)12-10(16)4-5-11(17-12)8-6-7(14)2-3-9(8)15/h2-6H,1H3.
What are the key properties of methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate?
methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate has a molecular weight of 300.12 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 133090667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).