methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate

C14H7Cl2F4NO3 — CID 142574461

IUPACmethyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C14H7Cl2F4NO3/c1-23-13(22)12-9(16)5-10(17)11(21-12)7-3-2-6(4-8(7)15)24-14(18,19)20/h2-5H,1H3
InChIKeyHCJGVZNIYAUCEH-UHFFFAOYSA-N
MW384.11 g/mol
LogP4.88
Rot. Bonds3

About methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate

methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate (PubChem CID 142574461) has the molecular formula C14H7Cl2F4NO3 and a molecular weight of 384.11 g/mol. Its IUPAC name is methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
PubChem CID142574461
Molecular FormulaC14H7Cl2F4NO3
Molecular Weight384.11 g/mol
Exact Mass382.97
IUPAC Namemethyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C14H7Cl2F4NO3/c1-23-13(22)12-9(16)5-10(17)11(21-12)7-3-2-6(4-8(7)15)24-14(18,19)20/h2-5H,1H3
InChIKeyHCJGVZNIYAUCEH-UHFFFAOYSA-N
XLogP4.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.11
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate (CID 142574461) is methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2Cl)c(F)cc1Cl.
What is the InChIKey of methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate?
The InChIKey is HCJGVZNIYAUCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F4NO3/c1-23-13(22)12-9(16)5-10(17)11(21-12)7-3-2-6(4-8(7)15)24-14(18,19)20/h2-5H,1H3.
What are the key properties of methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate?
methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate has a molecular weight of 384.11 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 142574461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).