ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate

C9H7ClF3NO2 — CID 133097674

IUPACethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C9H7ClF3NO2/c1-2-16-8(15)6-4-3-5(10)7(14-6)9(11,12)13/h3-4H,2H2,1H3
InChIKeyWMNFHLZKCSMQRC-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.93
Rot. Bonds2

About ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate

ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 133097674) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID133097674
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Nameethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C9H7ClF3NO2/c1-2-16-8(15)6-4-3-5(10)7(14-6)9(11,12)13/h3-4H,2H2,1H3
InChIKeyWMNFHLZKCSMQRC-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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Related Compounds

ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133096834
ethyl 6-amino-5-chloropyridine-2-carboxylate
CID 138112595
ethyl 6-bromo-5-chloropyridine-2-carboxylate
CID 46311447
ethyl 6-chloro-5-fluoropyridine-2-carboxylate
CID 46311494
ethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate
CID 157454103
ethyl 6-(bromomethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 69441065
ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate
CID 69441068
ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 171028937
ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133102463
ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224634
ethyl 6-chloro-2,4-bis(trifluoromethyl)pyridine-3-carboxylate
CID 10336213
ethyl 2-(2-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 96536531

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate (CID 133097674) is ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1ccc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is WMNFHLZKCSMQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)6-4-3-5(10)7(14-6)9(11,12)13/h3-4H,2H2,1H3.
What are the key properties of ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate?
ethyl 5-chloro-6-(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 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 133097674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).