3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine

C17H13F3N2O2 — CID 66747768

IUPAC3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine
SMILESNc1ncccc1Oc1ccc2ccc(OCC(F)(F)F)cc2c1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)10-23-13-5-3-11-4-6-14(9-12(11)8-13)24-15-2-1-7-22-16(15)21/h1-9H,10H2,(H2,21,22)
InChIKeyKQGPJKXNWTZKEG-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.55
Rot. Bonds4

About 3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine

3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine (PubChem CID 66747768) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine.

Molecular Properties

Compound Name3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine
PubChem CID66747768
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine
SMILESNc1ncccc1Oc1ccc2ccc(OCC(F)(F)F)cc2c1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)10-23-13-5-3-11-4-6-14(9-12(11)8-13)24-15-2-1-7-22-16(15)21/h1-9H,10H2,(H2,21,22)
InChIKeyKQGPJKXNWTZKEG-UHFFFAOYSA-N
XLogP4.55
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-3-benzyloxypyridine
CID 90334
3-(1-Naphthylmethoxy)pyridin-2-amine
CID 5326871
N-(5-Benzyloxy-isoquinolin-1-yl)-guanidine
CID 21192457
7-Pyridin-4-yloxyisoquinolin-1-amine
CID 44530197
3-{[3-(Trifluoromethyl)benzyl]oxy}-2-pyridinamine
CID 1485767
6-[(3R)-1-benzylpiperidin-3-yl]oxyisoquinolin-1-amine
CID 16222356
(S)-6-(1-benzylpiperidine-3-yloxy)isoquinolin-1-yl amine
CID 16222361
(S)-6-(piperidin-3-yloxy)-isoquinolin-1-ylamine
CID 16222570
3-[(4-Methoxybenzyl)oxy]pyridin-2-amine
CID 2728389
N-(7-Benzyloxy-isoquinolin-1-yl)-guanidine
CID 44339283
3-[3-(Benzyloxy)pyridin-2-yl]-1-[3-(trifluoromethyl)phenyl]urea
CID 5020377
1-(3-Benzyloxy-2-pyridyl)-3-(2,4-difluorophenyl)urea
CID 11717355

Frequently Asked Questions

What is the IUPAC name of 3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine?
The IUPAC name of 3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine (CID 66747768) is 3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine.
What is the SMILES notation for 3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine?
The canonical SMILES for 3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine is Nc1ncccc1Oc1ccc2ccc(OCC(F)(F)F)cc2c1.
What is the InChIKey of 3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine?
The InChIKey is KQGPJKXNWTZKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)10-23-13-5-3-11-4-6-14(9-12(11)8-13)24-15-2-1-7-22-16(15)21/h1-9H,10H2,(H2,21,22).
What are the key properties of 3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine?
3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine has a molecular weight of 334.30 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxypyridin-2-amine is sourced from PubChem (CID 66747768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).