(3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate

C13H6Cl2F3NO2 — CID 2746361

IUPAC(3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate
SMILESO=C(Oc1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H6Cl2F3NO2/c14-7-4-8(15)6-9(5-7)21-12(20)10-2-1-3-11(19-10)13(16,17)18/h1-6H
InChIKeySXLPRAXFKCIXQY-UHFFFAOYSA-N
MW336.10 g/mol
LogP4.63
Rot. Bonds2

About (3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate

(3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 2746361) has the molecular formula C13H6Cl2F3NO2 and a molecular weight of 336.10 g/mol. Its IUPAC name is (3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name(3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID2746361
Molecular FormulaC13H6Cl2F3NO2
Molecular Weight336.10 g/mol
Exact Mass334.97
IUPAC Name(3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate
SMILESO=C(Oc1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H6Cl2F3NO2/c14-7-4-8(15)6-9(5-7)21-12(20)10-2-1-3-11(19-10)13(16,17)18/h1-6H
InChIKeySXLPRAXFKCIXQY-UHFFFAOYSA-N
XLogP4.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.10
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

6-(trifluoromethyl)pyridine-2-carbonyl fluoride
CID 174756442
(2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate
CID 154824711
[3-(trifluoromethyl)phenyl] 6-bromopyridine-2-carboxylate
CID 91350693
2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 67968360
[4-(trifluoromethyl)phenyl] 6-aminopyridine-2-carboxylate
CID 117212841
(3,5-dichlorophenyl) 2,2,2-trifluoroacetate
CID 91695317
(3,5-dichlorophenyl) 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 2743933
(5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 178155369
methyl 6-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboxylate
CID 99728623
N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171677155
4-(3-chlorophenoxy)carbonylpyrimidine-2-carboxylic acid
CID 117212836
2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158850062

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of (3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate (CID 2746361) is (3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for (3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for (3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate is O=C(Oc1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of (3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is SXLPRAXFKCIXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3NO2/c14-7-4-8(15)6-9(5-7)21-12(20)10-2-1-3-11(19-10)13(16,17)18/h1-6H.
What are the key properties of (3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate?
(3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 336.10 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 2746361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).