2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid

C8H5ClF3NO3 — CID 87426689

IUPAC2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCC(F)(F)F)nc1Cl
InChIInChI=1S/C8H5ClF3NO3/c9-6-4(7(14)15)1-2-5(13-6)16-3-8(10,11)12/h1-2H,3H2,(H,14,15)
InChIKeyDIZGVIDKUUXBIJ-UHFFFAOYSA-N
MW255.58 g/mol
LogP2.37
Rot. Bonds3

About 2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid

2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid (PubChem CID 87426689) has the molecular formula C8H5ClF3NO3 and a molecular weight of 255.58 g/mol. Its IUPAC name is 2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
PubChem CID87426689
Molecular FormulaC8H5ClF3NO3
Molecular Weight255.58 g/mol
Exact Mass254.99
IUPAC Name2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCC(F)(F)F)nc1Cl
InChIInChI=1S/C8H5ClF3NO3/c9-6-4(7(14)15)1-2-5(13-6)16-3-8(10,11)12/h1-2H,3H2,(H,14,15)
InChIKeyDIZGVIDKUUXBIJ-UHFFFAOYSA-N
XLogP2.37
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.58
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733
2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 157313543
2-chloro-6-(2,2,2-trifluoroethoxy)pyridine
CID 12760119
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644
2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 87426370
5-nitro-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxylic acid
CID 114089663
[6-chloro-5-(sulfanylcarbamoyl)-2-pyridinyl] trifluoromethanesulfonate
CID 129197512
2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 52803644
2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine
CID 154265042
methyl 2-chloro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171029052
2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid
CID 174660968
6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid
CID 156695510

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid (CID 87426689) is 2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid is O=C(O)c1ccc(OCC(F)(F)F)nc1Cl.
What is the InChIKey of 2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid?
The InChIKey is DIZGVIDKUUXBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO3/c9-6-4(7(14)15)1-2-5(13-6)16-3-8(10,11)12/h1-2H,3H2,(H,14,15).
What are the key properties of 2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid?
2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid has a molecular weight of 255.58 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 87426689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).