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

C14H8Cl2F3NO3 — CID 142574195

IUPACmethyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC(F)F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C14H8Cl2F3NO3/c1-22-13(21)12-9(16)5-10(17)11(20-12)7-3-2-6(4-8(7)15)23-14(18)19/h2-5,14H,1H3
InChIKeyYXSSHLUCSYVYIA-UHFFFAOYSA-N
MW366.12 g/mol
LogP4.58
Rot. Bonds4

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

methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate (PubChem CID 142574195) has the molecular formula C14H8Cl2F3NO3 and a molecular weight of 366.12 g/mol. Its IUPAC name is methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
PubChem CID142574195
Molecular FormulaC14H8Cl2F3NO3
Molecular Weight366.12 g/mol
Exact Mass364.98
IUPAC Namemethyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC(F)F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C14H8Cl2F3NO3/c1-22-13(21)12-9(16)5-10(17)11(20-12)7-3-2-6(4-8(7)15)23-14(18)19/h2-5,14H,1H3
InChIKeyYXSSHLUCSYVYIA-UHFFFAOYSA-N
XLogP4.58
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.12
LogP ≤ 54.58
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-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate (CID 142574195) is methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(OC(F)F)cc2Cl)c(F)cc1Cl.
What is the InChIKey of methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate?
The InChIKey is YXSSHLUCSYVYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO3/c1-22-13(21)12-9(16)5-10(17)11(20-12)7-3-2-6(4-8(7)15)23-14(18)19/h2-5,14H,1H3.
What are the key properties of methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate?
methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate has a molecular weight of 366.12 g/mol, XLogP of 4.58, 4 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-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 142574195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).