ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate

C9H7ClF3NO2 — CID 71300228

IUPACethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c(C(F)(F)F)cn1
InChIInChI=1S/C9H7ClF3NO2/c1-2-16-8(15)7-3-6(10)5(4-14-7)9(11,12)13/h3-4H,2H2,1H3
InChIKeyMGURPXRKABALRR-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.93
Rot. Bonds2

About ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate

ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 71300228) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID71300228
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Nameethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c(C(F)(F)F)cn1
InChIInChI=1S/C9H7ClF3NO2/c1-2-16-8(15)7-3-6(10)5(4-14-7)9(11,12)13/h3-4H,2H2,1H3
InChIKeyMGURPXRKABALRR-UHFFFAOYSA-N
XLogP2.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate (CID 71300228) is ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1cc(Cl)c(C(F)(F)F)cn1.
What is the InChIKey of ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is MGURPXRKABALRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)7-3-6(10)5(4-14-7)9(11,12)13/h3-4H,2H2,1H3.
What are the key properties of ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate?
ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 253.61 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 71300228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).