6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid

C10H10F3NO3 — CID 125497910

IUPAC6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid
SMILESC[C@@H](OCC(F)(F)F)c1ccc(C(=O)O)cn1
InChIInChI=1S/C10H10F3NO3/c1-6(17-5-10(11,12)13)8-3-2-7(4-14-8)9(15)16/h2-4,6H,5H2,1H3,(H,15,16)/t6-/m1/s1
InChIKeyVXPFQIHXQBBDPE-ZCFIWIBFSA-N
MW249.19 g/mol
LogP2.42
Rot. Bonds4

About 6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid

6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid (PubChem CID 125497910) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid
PubChem CID125497910
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid
SMILESC[C@@H](OCC(F)(F)F)c1ccc(C(=O)O)cn1
InChIInChI=1S/C10H10F3NO3/c1-6(17-5-10(11,12)13)8-3-2-7(4-14-8)9(15)16/h2-4,6H,5H2,1H3,(H,15,16)/t6-/m1/s1
InChIKeyVXPFQIHXQBBDPE-ZCFIWIBFSA-N
XLogP2.42
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1R)-1-ethoxyethyl]pyridine-3-carboxamide
CID 135044920
5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine
CID 141330175
6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridine-3-carboxylic acid
CID 61491369
6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxylic acid
CID 61485145
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid
CID 175512349
4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290329
4-[1-(5-phenoxy-2-pyridinyl)ethoxy]-3-(trifluoromethyl)benzoic acid
CID 165416598
6-[(2R)-2-hydroxypropoxy]pyridine-3-carboxylic acid
CID 97034220
6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid
CID 61317563
6-(2-hydroxypropyl)pyridine-3-carboxylic acid
CID 68757151
6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid
CID 143061205

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid (CID 125497910) is 6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid is C[C@@H](OCC(F)(F)F)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid?
The InChIKey is VXPFQIHXQBBDPE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-6(17-5-10(11,12)13)8-3-2-7(4-14-8)9(15)16/h2-4,6H,5H2,1H3,(H,15,16)/t6-/m1/s1.
What are the key properties of 6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid?
6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid has a molecular weight of 249.19 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 125497910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).