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

C14H7Cl2F4NO2 — CID 59487387

IUPACmethyl 2-chloro-6-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)cc(-c2ccc(Cl)c(F)c2)nc1Cl
InChIInChI=1S/C14H7Cl2F4NO2/c1-23-13(22)11-7(14(18,19)20)5-10(21-12(11)16)6-2-3-8(15)9(17)4-6/h2-5H,1H3
InChIKeyZDURQZQTSKCBAU-UHFFFAOYSA-N
MW368.11 g/mol
LogP5.00
Rot. Bonds2

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

methyl 2-chloro-6-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 59487387) has the molecular formula C14H7Cl2F4NO2 and a molecular weight of 368.11 g/mol. Its IUPAC name is methyl 2-chloro-6-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID59487387
Molecular FormulaC14H7Cl2F4NO2
Molecular Weight368.11 g/mol
Exact Mass366.98
IUPAC Namemethyl 2-chloro-6-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)cc(-c2ccc(Cl)c(F)c2)nc1Cl
InChIInChI=1S/C14H7Cl2F4NO2/c1-23-13(22)11-7(14(18,19)20)5-10(21-12(11)16)6-2-3-8(15)9(17)4-6/h2-5H,1H3
InChIKeyZDURQZQTSKCBAU-UHFFFAOYSA-N
XLogP5.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.11
LogP ≤ 55.00
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-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-chloro-6-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate (CID 59487387) is methyl 2-chloro-6-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-chloro-6-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(C(F)(F)F)cc(-c2ccc(Cl)c(F)c2)nc1Cl.
What is the InChIKey of methyl 2-chloro-6-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is ZDURQZQTSKCBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F4NO2/c1-23-13(22)11-7(14(18,19)20)5-10(21-12(11)16)6-2-3-8(15)9(17)4-6/h2-5H,1H3.
What are the key properties of methyl 2-chloro-6-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-chloro-6-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 368.11 g/mol, XLogP of 5.00, 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-chloro-3-fluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 59487387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).