methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate

C14H8Cl2F3NO2 — CID 59487345

IUPACmethyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c1-22-13(21)11-9(14(17,18)19)6-10(20-12(11)16)7-2-4-8(15)5-3-7/h2-6H,1H3
InChIKeyVPFQIRLGBLZGTN-UHFFFAOYSA-N
MW350.12 g/mol
LogP4.86
Rot. Bonds2

About methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate

methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 59487345) has the molecular formula C14H8Cl2F3NO2 and a molecular weight of 350.12 g/mol. Its IUPAC name is methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID59487345
Molecular FormulaC14H8Cl2F3NO2
Molecular Weight350.12 g/mol
Exact Mass348.99
IUPAC Namemethyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c1-22-13(21)11-9(14(17,18)19)6-10(20-12(11)16)7-2-4-8(15)5-3-7/h2-6H,1H3
InChIKeyVPFQIRLGBLZGTN-UHFFFAOYSA-N
XLogP4.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.12
LogP ≤ 54.86
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate (CID 59487345) is methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1Cl.
What is the InChIKey of methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is VPFQIRLGBLZGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO2/c1-22-13(21)11-9(14(17,18)19)6-10(20-12(11)16)7-2-4-8(15)5-3-7/h2-6H,1H3.
What are the key properties of methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 350.12 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 59487345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).