[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol

C13H11F3N2O2 — CID 133086821

IUPAC[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
SMILESNc1cc(CO)c(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)20-10-3-1-8(2-4-10)11-6-18-12(17)5-9(11)7-19/h1-6,19H,7H2,(H2,17,18)
InChIKeyCJMYUCHTIXSTBY-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.72
Rot. Bonds3

About [2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol

[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol (PubChem CID 133086821) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is [2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
PubChem CID133086821
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
SMILESNc1cc(CO)c(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)20-10-3-1-8(2-4-10)11-6-18-12(17)5-9(11)7-19/h1-6,19H,7H2,(H2,17,18)
InChIKeyCJMYUCHTIXSTBY-UHFFFAOYSA-N
XLogP2.72
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 118807199
[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134629503
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118846484
2-[2,5-bis[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094062
2-[2-chloro-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 119011409
[2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol
CID 133086551
6-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086741
[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134618312
4-(fluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119016507
[7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol
CID 168905566
5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118991248

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
The IUPAC name of [2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol (CID 133086821) is [2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
The canonical SMILES for [2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol is Nc1cc(CO)c(-c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of [2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
The InChIKey is CJMYUCHTIXSTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)20-10-3-1-8(2-4-10)11-6-18-12(17)5-9(11)7-19/h1-6,19H,7H2,(H2,17,18).
What are the key properties of [2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol has a molecular weight of 284.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol is sourced from PubChem (CID 133086821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).