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

C8H5ClF3NO3 — CID 16782485

IUPAC5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H5ClF3NO3/c9-5-1-4(7(14)15)2-13-6(5)16-3-8(10,11)12/h1-2H,3H2,(H,14,15)
InChIKeyJRQLNFZESQUFOU-UHFFFAOYSA-N
MW255.58 g/mol
LogP2.37
Rot. Bonds3

About 5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid

5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid (PubChem CID 16782485) has the molecular formula C8H5ClF3NO3 and a molecular weight of 255.58 g/mol. Its IUPAC name is 5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
PubChem CID16782485
Molecular FormulaC8H5ClF3NO3
Molecular Weight255.58 g/mol
Exact Mass254.99
IUPAC Name5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H5ClF3NO3/c9-5-1-4(7(14)15)2-13-6(5)16-3-8(10,11)12/h1-2H,3H2,(H,14,15)
InChIKeyJRQLNFZESQUFOU-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

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Related Compounds

6-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid
CID 2781028
6-(Difluoromethoxy)pyridine-3-carboxylic acid
CID 71303865
6-Ethoxypyridine-3-carboxylic acid
CID 6485817
6-(Cyclopentyloxy)pyridine-3-carboxylic acid
CID 16794020
3-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]benzoic acid
CID 155145976
5-Chloro-6-isopropoxynicotinic acid
CID 18070582
6-Butoxypyridine-3-carboxylic acid
CID 23272956
6-(2-Methoxyethoxy)pyridine-3-carboxylic acid
CID 15067093
5-Chloro-6-methoxypyridine-3-carboxylic acid
CID 16785377
6-(Propan-2-yloxy)pyridine-3-carboxylic acid
CID 18625738
Methyl 6-(2,2,2-trifluoroethoxy)nicotinate
CID 2727182
5-Chloro-6-(cyclopropylmethoxy)pyridine-3-carboxylic acid
CID 28413957

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid (CID 16782485) is 5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid is O=C(O)c1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid?
The InChIKey is JRQLNFZESQUFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO3/c9-5-1-4(7(14)15)2-13-6(5)16-3-8(10,11)12/h1-2H,3H2,(H,14,15).
What are the key properties of 5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid?
5-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 5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 16782485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).