N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine

C10H13F3N2O2 — CID 82811775

IUPACN-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCOC(CNc1ccc(C(F)(F)F)nc1)OC
InChIInChI=1S/C10H13F3N2O2/c1-16-9(17-2)6-14-7-3-4-8(15-5-7)10(11,12)13/h3-5,9,14H,6H2,1-2H3
InChIKeyRVOHXQZTJVGSCJ-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.13
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine

N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 82811775) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID82811775
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC NameN-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCOC(CNc1ccc(C(F)(F)F)nc1)OC
InChIInChI=1S/C10H13F3N2O2/c1-16-9(17-2)6-14-7-3-4-8(15-5-7)10(11,12)13/h3-5,9,14H,6H2,1-2H3
InChIKeyRVOHXQZTJVGSCJ-UHFFFAOYSA-N
XLogP2.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol
CID 82811107
N-pentan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 82810705
N-[(4-methylcyclohexyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 70919588
6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 75435934
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide
CID 106074537
N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811109
N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
CID 106821586
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811102
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 124652117

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine (CID 82811775) is N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine is COC(CNc1ccc(C(F)(F)F)nc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is RVOHXQZTJVGSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-16-9(17-2)6-14-7-3-4-8(15-5-7)10(11,12)13/h3-5,9,14H,6H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine?
N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 250.22 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 82811775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).