2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C13H17F3N2O3 — CID 79876203

IUPAC2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCCCOCCNc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C13H17F3N2O3/c1-2-3-7-21-8-6-17-11-9(12(19)20)4-5-10(18-11)13(14,15)16/h4-5H,2-3,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyRIARKUWIMBBHGH-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.03
Rot. Bonds8

About 2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876203) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876203
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCCCOCCNc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C13H17F3N2O3/c1-2-3-7-21-8-6-17-11-9(12(19)20)4-5-10(18-11)13(14,15)16/h4-5H,2-3,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyRIARKUWIMBBHGH-UHFFFAOYSA-N
XLogP3.03
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylprop-2-enoxy)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 114469640
2-(3-butoxypropylamino)-6-chloropyridine-3-carboxylic acid
CID 113481133
2-(3-methylsulfanylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877167
4-(2-butoxyethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709477
2-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876689
2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 107319679
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
2-(heptan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876213
2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876215
2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876068
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876203) is 2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is CCCCOCCNc1nc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is RIARKUWIMBBHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-2-3-7-21-8-6-17-11-9(12(19)20)4-5-10(18-11)13(14,15)16/h4-5H,2-3,6-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 306.28 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).